일로마스탯

Ilomastat

HCID 132519
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기본 정보

CAS
142880-36-2
표준 SMILES
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C
InChIKey
NITYDPDXAAFEIT-DYVFJYSZSA-N
분자식
C20H28N4O4
평균 분자량
388.5 g/mol
단동위원소 질량
388.21105539

개요

Ilomastat is an N-acyl-amino acid obtained by formal condensation of the carboxy group of (2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the amino group of N-methyl-L-tryptophanamide. A cell permeable broad-spectrum matrix metalloproteinase (MMP) inhibitor. It has a role as an antibacterial agent, an antineoplastic agent, a neuroprotective agent, an anti-inflammatory agent and an EC 3.4.24.24 (gelatinase A) inhibitor. It is a hydroxamic acid, a L-tryptophan derivative and a N-acyl-amino acid.

이름 및 식별자

우선 이름
Ilomastat
IUPAC
(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
현지명
일로마스탯
영어명
Ilomastat
분자식
C20H28N4O4
분자량
388.46

이름 및 동의어

Ilomastat142880-36-2GalardinGM6001GM 6001CS 610DTXSID0046353GM-6001CS-610I0403ML141(R)-N(sup 1)-Hydroxy-N-((S)-2-indol-3-yl-1-(methylcarbamoyl)ethyl)-2-isobutylsuccinamide(S-(R*,S*))-N(sup 4)-Hydroxy-N(sup 1)-(1H-indol-3-ylmethyl)-2-(methylamino)-2-oxoethyl)-2-(2-methylopropyl)butanediamide
이름 더 보기
일로마스탯CS-1405SANTACRUZllomastatsc-203979AIlloMastatgalardin tmIlomastat, >=98%GM 6001 IlomastatIlomastat (GM 6001)Galardin CS 610
DTXCID8026353CHEBI:137236ilomastatum(2R)-N'-hydroxy-N-((2S)-3-(1H-indol-3-yl)-1-methylamino-1-oxopropan-2-yl)-2-(2-methylpropyl)butanediamide(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-methylamino-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamideRefChem:790596N'-hydroxy-N-((S)-2-indol-3-yl-1-(methylcarbamoyl)ethyl)-2-isobutylsuccinamide(2R)-N'-hydroxy-N-((1S)-2-(1H-indol-3-yl)-1-(methylcarbamoyl)ethyl)-2-(2-methylpropyl)butanediamide

데이터베이스 식별자

CAS
142880-36-2
PubChem CID
132519
DTXSID
DTXSID0046353
ChEMBL
CHEMBL19611
ChEBI
CHEBI:137236
UNII
I0403ML141
Nikkaji
J601.478J

물성

구조 계산 물성

XLogP
0.9
극성 표면적
123 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
4
회전 가능 결합 수
9
무거운 원자 수
28

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
LogP1.04

물리화학적 성질

밀도
1.228 · 1.228±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C
용해도
100 % · DMSO 및 100% 에탄올에 용해됩니다.
산도 계수 (pKa)
9.16 · 9.16±0.20(Predicted)
물리적 상태
회백색 고체
색상
하얀색

안전 및 규제

안전 데이터

wgk
3
HS 번호
29339900
safety_code
22-24/25
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationCompounds that inhibit the enzyme activity or activation of MATRIX METALLOPROTEINASES.
응용 분야 · 2건

용도Ilomastat is a metalloprotease inhibitor.

일반 설명A cell-permeable, potent broad-spectrum hydroxamic acid inhibitor of matrix metalloproteinases (MMPs). [Ki = 0.4 nM for skin fibroblast collagenase (MMP-1); Ki = 0.5 nM for gelatinase A (MMP-2); Ki = 27 nM for stromelysin (MMP-3); Ki = 0.1 nM for neutrophil collagenase (MMP-8); and Ki = 0.2 nM for gelatinase B (MMP-9)]. Also prevents the release of TNF-α in vivo and in vitro and abrogates endotoxin-induced lethality in mice.

공급사100 곳

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

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