Bucillamine

HCID 656604CAS 65002-17-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(C)(S)C(=O)N[C@@H](CS)C(=O)O
InChIKey
VUAFHZCUKUDDBC-BYPYZUCNSA-N
분자식
C7H13NO3S2
평균 분자량
223.3 g/mol
단동위원소 질량
223.03368528

개요

Bucillamine is an organic molecular entity.

이름 및 식별자

우선 이름
Bucillamine
IUPAC
(2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid
영어명
Bucillamine
분자식
C7H13NO3S2
분자량
223.31

이름 및 동의어

bucillamine65002-17-7TiobutaritBucilantBucilaminaN-(2-Mercapto-2-methylpropionyl)-L-cysteineBucillaminumDTXSID2048587R80LRA5WTFSA-96DE019L-CYSTEINE, N-(2-MERCAPTO-2-METHYL-1-OXOPROPYL)-
이름 더 보기
sa96de-019Bucillamine 95%BUCILLAMINE USP/EP/BPBucillamine, 10 mM in DMSON-(2-Mercaptoisobutyryl)cysteine
(2R)-2-(2-METHYL-2-SULFANYLPROPANAMIDO)-3-SULFANYLPROPANOIC ACIDDTXCID2028513RefChem:917687M01CC02(2R)-2-(2-Methyl-2-sulfanylpropanoylamino)-3-sulfanylpropanoic acid2-mercapto-2-methylpropanoyl-L-cysteineRimatilThiobutarit

데이터베이스 식별자

CAS
65002-17-7
PubChem CID
656604
DTXSID
DTXSID2048587
ChEMBL
CHEMBL80830
ChEBI
CHEBI:31312
UNII
R80LRA5WTF
Nikkaji
J22.800A

물성

구조 계산 물성

XLogP
0.4
극성 표면적
68.4 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
5
회전 가능 결합 수
4
무거운 원자 수
13

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

녹는점
119 · 119-123°C
끓는 점
438 · 438.0±45.0 °C(Predicted)
밀도
1.3934 · 1.3934 (rough estimate)
굴절률
1.637 · 1.6370 (estimate)
저장 조건
-20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
용해도
DMSO(매우 약간), 에탄올(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨)

화학적 성질

Off-White Solid

안전 및 규제

독성 정보

Drug Induced Liver Injury · 4건

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

Bucillamine

DILI Positive

DOI:10.1016/j.drudis.2019.09.022

안전 데이터

독성
LD50 in mice (mg/kg): 2285 i.p.; 989.6 i.v. (Fujita, 1981)

화학 및 산업

약리 정보

ATC Code · 2건

M - Musculo-skeletal system

QM - Musculo-skeletal system

MeSH Pharmacological Classification · 2건

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.

응용 분야 · 2건

개요Bucillamine is an orally active immunomodulator useful in the treatment of rheumatoid arthritis. Its potencies in inhibiting collagenase activity and inactivating rheumatoid factor far exceed those of penicillamine. In man, bucillamine reportedly brings about significant improvements over placebo in erythrocyte sedimentation, grip power, joint swelling and duration of morning stiffness.

용도An antirheumatic agent.

상·하류 제품 정보

공급사50 곳

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

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