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抑肽素 | 26305-03-3

抑肽素
Pepstatin
26305-03-3
C34H63N5O9
685.8921
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:抑肽素结构式
抑肽素MSDS
24898620
抑肽素价格
简介
Pepstatin (Pepstatin A) 是由放线菌类产生的一种特异性的、具有口服活性的天冬氨酸蛋白酶 (aspartic proteases) 抑制剂,能够抑制 hemoglobin-pepsin、hemoglobin-proctase、casein-pepsin、casein-proctase、casein-acid protease 和 hemoglobin-acid protease 的活性,IC50 值分别为 4.5 nM、6.2 nM、150 nM、290 nM、520 nM 和 260 nM;同时可抑制 HIV protease 的活性。
名称和标识符
MDL MFCD00060740
InChIKey FAXGPCHRFPCXOO-LXTPJMTPSA-N
Inchi 1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
SMILES O([H])[C@@]([H])(C([H])([H])C(N([H])[C@@]([H])(C([H])([H])[H])C(N([H])[C@]([H])([C@]([H])(C([H])([H])C(=O)O[H])O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=O)=O)[C@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])N([H])C([C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])N([H])C([C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])N([H])C(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=O)=O)=O
BRN 220136
别名信息
- 中文别名 -
  • 抑肽素
  • 胃蛋白酶抑制剂
  • Pepstatin A 胃蛋白酶抑制剂
  • 胃蛋白酶抑制剂 Pepstatin A
  • 胃蛋白酶抑制剂(抑肽素)
  • 胃蛋白酶抑制剂,超纯级
  • 胃酶抑素 A
  • 抑肽,胃蛋白酶抑制剂
  • 抑肽素,Pepstatin A
- 英文别名 -
  • Pepstatin
  • Pepstatin A
  • N-Isovaleryl-L-valyl-L-valyl-3-hydroxy-6-methyl-gamma-aminoheptanoyl-L-alanyl-3-hydroxy-6-methyl-gamma-aminoheptanoic acid
  • (3S,4S)-3-Hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
  • Pepstain A
  • PEPSTATIN A SYNTHETIC
  • ahpatininc
  • Isovalerylpepstatin
  • Isovaleryl-Val-Val-Sta-Ala-Sta-OH
  • IVA-VAL-VAL-STA-ALA-STA
  • pepsininhibitors735a
  • pepstatine A
  • peptistatin A
  • procidins735a
  • Pepstatine
  • Ahpatinin C
  • Pepsin inhibitor S 735A
  • C34H63N5O9
  • MLS002222329
  • Iva-Val-Val-Sta-Ala-Sta-OH
  • V6Y2T27Q1U
  • FAXGPCHRFPCXOO-LXTPJMTPSA-N
  • Procidin S 735A
  • Pepstatin (nonspecific)
  • Pepstatin [USAN:INN]
  • Pepstatinum [INN-Latin]
  • Pepstatine [INN-French]
  • Pepstatina [INN-Spanish]
  • DSSTox_CID_26095
  • DSSTox_RID_81334
  • DSSTox_GSID_46095
  • Pepstatinum
  • Pepstatina
  • Pepstatin (VAN)
  • Pepstatin A, >=100,000 U/mg
  • NCGC00161670-01
  • 26305-03-3
  • HMS2096A12
  • UPCMLD-DP141:002
  • Pepstatin, from Streptomyces species
  • SR-01000721876
  • 39324-30-6
  • D03818
  • KBio2_005476
  • DTXSID7046095
  • L-Alaninamide, N-(3-methyl-1-oxobutyl)-L-valyl-L-valyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-N-[(1S)-1-[(1S)-2-carboxy-1-hydroxyethyl]-3-methylbutyl]-
  • HMS1792B21
  • HMS3403B21
  • UNII-V6Y2T27Q1U
  • NS00051237
  • KBioSS_000340
  • SR-01000721876-3
  • CHEMBL296588
  • NCGC00161670-06
  • Isovaleryl-Val-Val-4-amino-3-hydroxy-6-methylheptanoyl-Ala-4-amino-3-hydroxy-6-methylheptanoic Acid
  • BDBM912
  • HY-P0018
  • EINECS 247-600-0
  • Bio1_001382
  • HMS1990B21
  • 1sme
  • CAS-26305-03-3
  • C74361
  • KBio3_000679
  • IDI1_002095
  • EX-A4027
  • (6S,9S,12S,13S,17S,20S,21S)-13,21-dihydroxy-12,20-diisobutyl-6,9-diisopropyl-2,17-dimethyl-4,7,10,15,18-pentaoxo-5,8,11,16,19-pentaazatricosan-23-oic acid
  • CCG-207852
  • CCRIS 3603
  • PEPSTATIN [INN]
  • KBioGR_000340
  • L-Alaninamide, N-(3-methyl-1-oxobutyl)-L-valyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-N-((1S)-1-((1S)-2-carboxy-1-hydroxyethyl)-3-methylbutyl)-
  • Heptanoic acid, N-(3-methyl-1-oxobutyl)-L-valyl-L-valyl-(3S,4S)-3-hydroxy-6-methyl-4-aminoheptanoyl-L-alanyl-(3S,4S)-3-hydroxy-6-methyl-4-amino-
  • BRN 2201362
  • N-(3-Methyl-1-oxobutyl)-L-valyl-L-valyl-4-amino-3-hydroxy-6-methylheptanoyl-L-alanyl-4-amino-3-hydroxy-6-methylheptanoic acid
  • HMS1362B21
  • NCGC00160128-02
  • CS-4202
  • KBio3_000680
  • MFCD00060740
  • Bio1_000404
  • pepstatin
  • 3-hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[[3-methyl-2-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoylamino]-6-methylheptanoic acid
  • (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methyl-heptanoic acid
  • KBio2_002908
  • PEPSTATIN [USAN]
  • NCGC00161670-02
  • 1lyb
  • NCGC00161670-04
  • KBio2_000340
  • L-Valinamide, N-(3-methyl-1-oxobutyl)-L-valyl-N-(4-((2-((1-(2-carboxy-1-hydroxyethyl)-3-methylbutyl)amino)-1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl)-, (1S-(1R*,2R*,4(R*(R*(R*)))))-
  • Bio2_000340
  • Q7166509
  • SCHEMBL19469525
  • MLS000069747
  • N-(3-methylbutanoyl)-L-valyl-N-[(3S,4S)-1-{[(2S)-1-{[(2S,3S)-1-carboxy-2-hydroxy-5-methylhexan-3-yl]amino}-1-oxopropan-2-yl]amino}-3-hydroxy-6-methyl-1-oxoheptan-4-yl]-L-valinamide
  • SMR000059191
  • MLS006010748
  • BPBio1_000364
  • Bio1_000893
  • HMS3713A12
  • AC-8820
  • Tox21_111747
  • BCP15859
  • (3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-methyl-4-[(2S)-3-methyl-2-[(2S)-3-methyl-2-(3-methylbutanamido)butanamido]butanamido]heptanamido]propanamido]-6-methylheptanoic acid
  • BSPBio_001000
  • BS-16753
  • AB00513830
  • CHEBI:7989
  • UPCMLD-DP141:001
  • N-[(3-Methyl-1-oxobutyl)-L-valyl-L-valyl-4-amino-3-hydroxy-6-methylheptanoyl-L-alanyl]-4-amino-3-hydroxy-6-methylheptanoic acid
  • Pepstatin (USAN/INN)
  • s7381
  • DTXCID5026095
  • Pepstatin A, microbial, >=75% (HPLC)
  • PEPSTATIN [MI]
  • Pepstatin A, microbial, >=90% (HPLC)
  • Prestwick3_000405
  • (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
  • SMR001307268
  • Isovaleryl-L-val-L-val-statinyl-L-alastatine
  • BSPBio_000330
  • Iva-Val-Val-Sta-Ala-Sta
  • PEPSTATIN [WHO-DD]
  • HB3359
  • BRD-K13571841-001-03-7
  • NCGC00161670-03
  • NSC-272671
  • SCHEMBL50324
  • NSC 272671
  • Pepstatin A
  • Isovaleryl-Val-Val-Sta-Ala-Sta-OH
  • MLS002207302
  • Bio2_000820
  • 6apr
  • AKOS024456453
  • 4er2
  • UPCMLD-DP141
  • HMS2233I07
  • Tox21_111747_1
物化性质
实验特性
LogP 3.42170
PSA 223.26000
折射率 1.7500 (estimate)
水溶性 It is soluble in 10% (v/v) acetic acid in methanol (9:1 methanol:acetic acid) (1 mg/ml), ethanol (1-2 mg/ml with heat up to 60°C), DMSO (5 mg/ml), methanol (1 mg/ml), and acetic acid. Insoluble in benzene, chloroform, water, 1 M NaOH, and ether.
沸点 997.6°C at 760 mmHg
熔点 233 °C (dec.) (lit.)
闪点 557.1 ºC
溶解度 10% acetic acid in methanol: 1 mg/mL
颜色与性状 未确定
稳定性 Stable. Incompatible with strong bases, strong acids.
溶解性 溶于甲醇
敏感性 对热敏感
比旋光度 D27 -90.3° (c = 0.288 in methanol)
密度 1.1340 (rough estimate)
计算特性
精确分子量 685.46300
氢键供体数量 8
氢键受体数量 9
可旋转化学键数量 22
同位素质量 685.463
重原子数量 48
复杂度 1060
同位素原子数量 0
确定原子立构中心数量 7
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) 3
互变异构体数量 32
表面电荷 0
拓扑分子极性表面积 223
国际标准相关数据
EINECS 3603
相关文献
专业数据库参考
PubChemId 24898620
参考资料
Beilstein 2201362
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