CAS No.1257044-40-8 | Venetoclax

Introduction

Venetoclax (ABT-199; GDC-0199) 是一种高效，有选择性和口服有效的 Bcl-2 抑制剂，Ki 小于0.01 nM。Venetoclax 可以诱导自噬 (autophagy) 作用。

Names and Identifiers

ABT-199
ABT-199 (GDC-0199)
2-(1H-Pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(3-nitro-4-((tetrahydro-2H-pyran-4-yl)methy
4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide (
4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

ABT 199
ABT-199 API
Sulfuric acid mono[(1R,2S,5R)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl] ester
Venetoclax（ABT-199）
CS-1155
GDC0199
GDC-0199
UNII-N54AIC43PW
Venetoclax
4-[4-[[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-benzamide
ABT-199 Venetoclax
4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-n-({3-nitro-4-[(tetrahydro-2h-pyran-4-ylmethyl)amino]phenyl}sulfonyl)-2-(1h-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
NCGC00345789-11
NCGC00345789-05
VENETOCLAX [INN]
AKOS025289539
Venetoclax (JAN/USAN/INN)
DB11581
RG-7601
NCGC00345789-12
NS00073446
ABT199
1257044-40-8
HY-15531
)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzene-1-sulfonyl)-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
BRD-K62391742-001-03-0
SCHEMBL523816
BRD-K62391742-001-08-9
BDBM189459
Venetoclax(ABT-199)
Q23671272
SMR004701366
ABT-199
2-(1H-Pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(3-nitro-4-((tetrahydro-2H-pyran-4-yl)methy
Venetoclax
Abt-199
CHEMBL3137309
AC-28754
Venclexta
Venetoclax (ABT-199)
4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-({3-nitro-4-[(oxan-4-ylmethyl)amino]benzene}sulfonyl)-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide
SW219672-1
HMS3653J06
KS-1470
venetoclaxum
4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(tetrahydropyran-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
SCHEMBL19236295
4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzenesulfonyl)-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzamide
CCG-270543
DTXCID0077354
4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
EX-A168
D10679
VENETOCLAX [MI]
GDC-0199 , ABT 199 , ABT-199 , ABT199
ABT 199 (>99%)(Venetoclax)
ABT 199 (Venetoclax)
MFCD23160052
venclyxto
RG7601
Venetoclax(ABT-199)?
Venclexta (TN)
EN300-7399830
US9174982, 369
BCP06811
4-(4-((2-(4-CHLOROPHENYL)-4,4-DIMETHYLCYCLOHEX-1-EN-1-YL)METHYL)PIPERAZIN-1-YL)-N-((3-NITRO-4-((TETRAHYDRO-2HPYRAN-4-YLMETHYL) AMINO)PHENYL)SULFONYL)-2-(1H-PYRROLO(2,3-B)PYRIDIN-5-YLOXY)BENZAMIDE
J-005269
MLS006010298
VENETOCLAX [WHO-DD]
HMS3745E07
4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl
GTPL8318
VENETOCLAX [JAN]
ABT-0199
2-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)benzamide
4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-((tetrahydro-2H-pyran-4-ylmethyl)amino)phenyl)sulfonyl)-2-(1H-pyrrolo(2,3-b)pyridin-5-yloxy)benzamide
Venetoclax [USAN:INN]
BRD-K62391742-001-09-7
4-(4-((4'-chloro-5,5-dimethyl(3,4,5,6-tetrahydro(1,1'-biphenyl))-2-yl)methyl)piperazin-1-yl)-N-(3-nitro-4-(((oxan-4-yl)methyl)amino)benzene-1-sulfonyl)-2-((1H-pyrrolo(2,3-b)pyridin-5-yl)oxy)benzamide
GDC 0199
DTXSID30154863
S8048
VENETOCLAX [USAN]
US9174982, 5
BDBM60828
Z2037279542
SB16499
benzamide, 4-(4-((2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl)methyl)-1-piperazinyl)-n-((3-nitro-4-(((tetrahydro-2h-pyran-4-yl)methyl)amino)phenyl)sulfonyl)-2-(1h-pyrrolo(2,3-b)pyridin-5-yloxy)-
NSC766270
Venetoclax (ABT199)
CHEBI:133021
DA-35360
N54AIC43PW
BDBM50162774
NSC-766270
Benzamide, 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-
VENETOCLAX [ORANGE BOOK]
4-(4-((2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-(((oxan-4-yl)methyl)amino)phenyl)sulfonyl)-2-((1H-pyrrolo(2,3-b)pyridin-5-yl)oxy)benzamide
L01XX52
NCGC00345789-10
NCGC00345789-01

+ expand

MDL：MFCD23160052
InChIKey：LQBVNQSMGBZMKD-UHFFFAOYSA-N
Inchi：InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
SMILES：O=C(NS(=O)(C1=CC=C(NCC2CCOCC2)C([N+]([O-])=O)=C1)=O)C3=CC=C(N4CCN(CC5=C(C6=CC=C(Cl)C=C6)CC(C)(C)CC5)CC4)C=C3OC7=CN=C(NC=C8)C8=C7

Chemical and Physical Properties

Computed Properties

精确分子量: 867.31800
氢键供体数量: 3
氢键受体数量: 11
可旋转化学键数量: 14
同位素质量: 867.3180958g/mol
重原子数量: 61
复杂度: 1640
同位素原子数量: 0
确定原子立构中心数量: 0
不确定原子立构中心数量: 0
确定化学键立构中心数量: 0
不确定化学键立构中心数量: 0
共价键单元数量: 1
疏水参数计算参考值（XlogP）: 8.2
拓扑分子极性表面积: 183Å²

Experimental Properties

LogP: 10.91460
PSA: 186.58000
折射率: 1.64
溶解度: Insuluble (6.3E-6 g/L) (25 ºC),
密度: 1.340±0.06 g/cm3 (20 ºC 760 Torr),

Security Information

危害声明：H302-H315-H319-H335
警示性声明：P261-P305+P351+P338
储存条件：Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
信号词：Warning

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× CAS No.:1257044-40-8 Molecular Formula:C₄₅H₅₀N₇O₇SCl Molecular Weight:868.4392
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Venetoclax (ABT-199, GDC-0199)
Molecular formula：C45H50ClN7O7S
Molecular weight：868.44
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× CAS No.:1257044-40-8 Molecular Formula:C45H50N7O7SCl Molecular Weight:868.4392 Synonyms:ABT-199;ABT-199 (GDC-0199);2-(1H-Pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(3-nitro-4-((tetrahydro-2H-pyran-4-yl)methy;4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide (;4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide;ABT 199;ABT-199 API;Sulfuric acid mono[(1R,2S,5R)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl] ester;Venetoclax（ABT-199）;CS-1155;GDC0199;GDC-0199;UNII-N54AIC43PW;Venetoclax;4-[4-[[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo…
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2141-2x25mg	98%	In Stock	2x25mg	€260.00	21 May. 2024
2141-2 x 25 mg	98%	In Stock	2 x 25 mg	€260.00	10 Jul. 2023
2141-5 mg	98%	In Stock	5mg	€70.00	10 Jul. 2023
2141-25 mg	98%	In Stock	25mg	€170.00	10 Jul. 2023

	Supplier:A2B Chem LLC
No.	Purity	Stock	Specification	Price	update time	operate
AA31582-100g	97%	in stock	100g	$3927.00	20 Apr. 2024
AA31582-5g	99%	in stock	5g	$260.00	20 Apr. 2024
AA31582-1g	99%	in stock	1g	$76.00	20 Apr. 2024
AA31582-250mg	99%	in stock	250mg	$40.00	20 Apr. 2024
AA31582-100mg	99%	in stock	100mg	$36.00	20 Apr. 2024
AA31582-25mg	99%	in stock	25mg	$34.00	20 Apr. 2024
AA31582-2mg	99%	in stock	2mg	$6.00	20 Apr. 2024
AA31582-1mg	99%	in stock	1mg	$4.00	20 Apr. 2024

	Supplier:Selleck中国
No.	Purity	Stock	Specification	Price	update time	operate
S8048-50mg	99.97%	现货	50mg	¥3104.01	15 Sep. 2023
S8048-5mg	99.97%	现货	5mg	¥647.01	15 Sep. 2023
S8048-10mM (1mL in DMSO)	99.97%	现货	10mM (1mL in DMSO)	¥794.43	15 Sep. 2023
S8048-200mg	99.70%	现货	200mg	￥24488.39	26 Apr. 2022
S8048-1g	99.97%	现货	1g	¥10401.3	15 Sep. 2023

	Supplier:Advanced ChemBlocks
No.	Purity	Stock	Specification	Price	update time	operate
L13360-5G	98%	In Stock in San Francisco	5G	$300	15 Sep. 2023
L13360-1G	98%	In Stock in San Francisco	1G	$90	15 Sep. 2023
L13360-100MG	98%	In Stock in San Francisco	100MG	$30	15 Sep. 2023
L13360-25MG	98%	In Stock in San Francisco	25MG	$35	13 Apr. 2023

	Supplier:武汉安捷凯生物医药科技有限公司
No.	Purity	Stock	Specification	Price	update time	operate
ajci12380-50mg	98%	现货	50mg	￥5760.00	09 Sep. 2023
ajci12380-5mg	98%	现货	5mg	￥1470.00	09 Sep. 2023
ajci12380-1mg	98%	现货	1mg	￥579.00	09 Sep. 2023

	Supplier:TRC
No.	Purity	Stock	Specification	Price	update time	operate
A112430-50mg		0.0	50mg	$ 148.00	09 Sep. 2023
A112430-100mg		0.0	100mg	$ 244.00	09 Sep. 2023
A112430-5mg		0.0	5mg	$ 74.00	09 Sep. 2023
A112425-10mg		0.0	10mg	$ 98.00	09 Sep. 2023
A112425-100mg		0.0	100mg	$ 224.00	09 Sep. 2023
A112425-500mg		0.0	500mg	$ 650.00	09 Sep. 2023
A112430-10mg		0.0	10mg	$ 108.00	19 Apr. 2023
A112430-500mg		0.0	500mg	$ 679.00	19 Apr. 2023
A112425-50mg		0.0	50mg	$ 161.00	19 Apr. 2023

	Supplier:Key Organics Ltd
No.	Purity	Stock	Specification	Price	update time	operate
KS-1470-10MG	>97%	Same Day Despatch	10mg	£63.00	07 Sep. 2023
KS-1470-1MG	>97%	Same Day Despatch	1mg	£37.00	07 Sep. 2023
KS-1470-5MG	>97%	Same Day Despatch	5mg	£51.00	07 Sep. 2023

	Supplier:上海阿拉丁生化科技股份有限公司
No.	Purity	Stock	Specification	Price	update time	operate
A124869-100mg	≥99%	现货	100mg	¥745.90	04 Sep. 2023
A124869-25mg	≥99%	现货	25mg	¥273.90	04 Sep. 2023
A124869-50mg	≥99%	现货	50mg	¥494.90	04 Sep. 2023
A124869-10mg	≥99%	现货	10mg	¥164.90	04 Sep. 2023
A124869-5mg	≥99%	现货	5mg	¥102.90	04 Sep. 2023
A124869-500mg	≥99%	现货	500mg	¥1853.90	04 Sep. 2023

	Supplier:圣克鲁斯生物技术
No.	Purity	Stock	Specification	Price	update time	operate
sc-472284D-3 g	≥98%		3g	￥12,034.00	11 Jul. 2023
sc-472284C-100 mg	≥98%		100MG	￥6,017.00	11 Jul. 2023
sc-472284B-10 mg	≥98%		10mg	￥3,761.00	11 Jul. 2023
sc-472284A-5 mg	≥98%		5mg	￥2,369.00	11 Jul. 2023
sc-472284-1 mg	≥98%		1mg	￥827.00	11 Jul. 2023
sc-472284-1mg	≥98%		1mg	￥827.00	05 Sep. 2023
sc-472284A-5mg	≥98%		5mg	￥2369.00	05 Sep. 2023
sc-472284B-10mg	≥98%		10mg	￥3761.00	05 Sep. 2023
sc-472284C-100mg	≥98%		100mg	￥6017.00	05 Sep. 2023
sc-472284D-3g	≥98%		3g	￥12034.00	05 Sep. 2023

	Supplier:上海麦克林生化科技有限公司
No.	Purity	Stock	Specification	Price	update time	operate
A864240-25mg	≥99%	上海仓库：现货/北方仓库：-/南方仓库：-	25mg	￥279.00	29 Sep. 2022
A864240-100mg	≥99%	上海仓库：现货/北方仓库：-/南方仓库：-	100mg	￥769.00	29 Sep. 2022

	Supplier:上海陶术生物科技有限公司
No.	Purity	Stock	Specification	Price	update time	operate
T2119-1 mL * 10 mM (in DMSO)	99.14%	上海现货	1 mL * 10 mM (in DMSO)	￥1487.00	01 Mar. 2022
T2119-100 mg	99.14%	上海现货	100MG	￥6617.00	01 Mar. 2022
T2119-50 mg	99.14%	上海现货	50mg	￥4527.00	01 Mar. 2022
T2119-10 mg	99.14%	上海现货	10mg	￥1487.00	01 Mar. 2022
T2119-5 mg	99.14%	上海现货	5mg	￥1107.00	01 Mar. 2022
T2119-2 mg	99.14%	上海现货	2mg	￥537.00	01 Mar. 2022

	Supplier:DC Chemicals
No.	Purity	Stock	Specification	Price	update time	operate
DC2002-10 g	>99%	In stock	10g	$3200.0	28 Feb. 2022
DC2002-5 g	>99%	In stock	5g	$2000.0	28 Feb. 2022
DC2002-1 g	>99%	In stock	1g	$800.0	28 Feb. 2022
DC2002-10 mM * 1 mL in DMSO		In stock	10mM*1mLinDMSO	$150.0	15 Sep. 2023
DC2002-10g		In stock	10g	$3200.0	15 Sep. 2023
DC2002-5g		In stock	5g	$2000.0	15 Sep. 2023
DC2002-1g		In stock	1g	$800.0	15 Sep. 2023

	Supplier:Matrix Scientific
No.	Purity	Stock	Specification	Price	update time	operate
131682-250mg	97%	Inquire	250mg	$2,160.00	27 Jun. 2021
131682-100mg	97%	Inquire	100mg	$1,198.00	27 Jun. 2021

	Supplier:上海贤鼎生物科技有限公司
No.	Purity	Stock	Specification	Price	update time	operate
B-GI469-10mg	99+%	现货	10mg	928CNY	08 May. 2021
B-GI469-5mg	99+%	现货	5mg	696CNY	08 May. 2021
B-GI469-50mg	99+%	现货	50mg	2784CNY	08 May. 2021
B-GI469-2mg	99+%	现货	2mg	347CNY	08 May. 2021
B-GI469-100mg	99+%	现货	100mg	4278CNY	08 May. 2021

Brand:chemenu		Supplier:Chemenu
	No.	Purity	Stock	Specification	Price	update time	operate
	CM149788-100mg	95+%	3-4 Weeks	100mg	$204	02 Mar. 2022

	Supplier:1PlusChem
No.	Purity	Stock	Specification	Price	update time	operate
1P000OZI-5g	99%	In Stock USA	5g	$259.00	25 Dec. 2023
1P000OZI-1g	99%	In Stock USA	1g	$70.00	25 Dec. 2023
1P000OZI-250mg	99%	In Stock USA	250mg	$36.00	25 Dec. 2023
1P000OZI-2mg	99%	In Stock USA	2mg	$12.00	25 Dec. 2023
1P000OZI-1mg	99%	In Stock USA	1mg	$10.00	25 Dec. 2023

	Supplier:Enamine
No.	Purity	Stock	Specification	Price	update time	operate
EN300-7399830-10.0g	95%	In Stock	10g	$586.0	24 May. 2023
EN300-7399830-5.0g	95%	In Stock	5g	$316.0	24 May. 2023
EN300-7399830-2.5g	95%	In Stock	2.5g	$182.0	24 May. 2023
EN300-7399830-1.0g	95%	In Stock	1g	$100.0	24 May. 2023
EN300-7399830-0.5g	95%	In Stock	0.5g	$78.0	24 May. 2023
EN300-7399830-0.25g	95%	In Stock	0.25g	$49.0	24 May. 2023
EN300-7399830-0.1g	95%	In Stock	0.1g	$35.0	24 May. 2023
EN300-7399830-0.05g	95%	In Stock	0.05g	$23.0	24 May. 2023

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Product Name：Venetoclax

Computed Properties

Experimental Properties

atkchemica

Contact & Address Information

(CAS:1257044-40-8)Venetoclax

atkchemica

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senfeida

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(CAS:1257044-40-8)ABT-199

senfeida

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Heyuan Broad Spectrum Biotechnology Co., Ltd

Contact & Address Information

(CAS:1257044-40-8)Venetoclax

Heyuan Broad Spectrum Biotechnology Co., Ltd

Contact & Address Information

Amadis Chemical Company Limited

Contact & Address Information

(CAS:1257044-40-8)Venetoclax

Amadis Chemical Company Limited

Contact & Address Information