Staurosporine

HCID 44259CAS 62996-74-1

基本情報

標準SMILES: CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
InChIKey: HKSZLNNOFSGOKW-FYTWVXJKSA-N
分子式: C28H26N4O3
平均分子量: 466.5 g/mol
単同位体質量: 466.20049069

概要

Staurosporine is an indolocarbazole alkaloid and an organic heterooctacyclic compound. It has a role as a geroprotector, an EC 2.7.11.13 (protein kinase C) inhibitor, an apoptosis inducer and a bacterial metabolite. It is a conjugate base of a staurosporinium.

名称と識別子

優先名称: Staurosporine
IUPAC: (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one

名称と別名

staurosporineStaurosporin62996-74-1Antibiotic 230Antibiotic AM 2282AM-2282H88EPA0A3NDTXSID6041131CHEBI:15738CGP-393608,12-Epoxy-1H,8H-2,7b,12a-triazadibenzo(a,g)cyclonona(cde)trinden-1-one, 2,3,9,10,11,12-hexahydro-9-methoxy-8-methyl-10-(methylamino)-, (8alpha,9beta,10beta,12alpha)-(+)-(2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one

名称をさらに表示

NSC618487(2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo(12.12.2.1^(2,6).0^(7,28).0^(8,13).0^(15,19).0^(20,27).0^(21,26))nonacosa-8,10,12,14(28),15(19),20(27),21,23,25-nonaen-16-one(2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo(12.12.2.12,6.07,28.08,13.015,19.020,27.021,26)nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one(2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8,10,12,14(28),15(19),20(27),21,23,25-nonaen-16-oneRefChem:889116DTXCID201340061(9alpha,10beta,11beta,13alpha)-(+)-2,3,10,11,12,13-Hexahydro-10-methoxy-9-methyl-11-(methylamino)-9,13-epoxy-1H-9H-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazonin-1-one1-((2R,3S,4S,6S)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo(12.12.2.12,6.07,28.08,13.015,19.020,27.021,26)nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl)-1-methylurea

データベース識別子

CAS: 62996-74-1
PubChem CID: 44259
DTXSID: DTXSID6041131
ChEMBL: CHEMBL388978
ChEBI: CHEBI:15738
UNII: H88EPA0A3N
EC Number: 613-127-7
Nikkaji: J445.409J

物性

構造計算による物性

XLogP: 3.2
極性表面積: 69.5 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 35
形式電荷: 0
複雑度: 901

実験および物理化学的性質

Drugs · 2 件

Pharmaceuticals -> Antibiotics

Pharmaceuticals -> Listed in ZINC15

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (10%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P264, P270, P273, P280, P301+P317, P318, P319, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 1 件

9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-11-(methylamino)-, (9S,10R,11R,13R)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (10%)

化学と産業

薬理情報

MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.