Bendamustine Hydrochloride

HCID 77082CAS 3543-75-7

기본 정보

표준 SMILES
Cl.Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21
InChIKey
ZHSKUOZOLHMKEA-UHFFFAOYSA-N
분자식
C16H22Cl3N3O2
평균 분자량
394.7 g/mol
단동위원소 질량
393.07775998

개요

Bendamustine Hydrochloride is the hydrochloride salt of bendamustine, a bifunctional mechlorethamine derivative with alkylator and antimetabolite activities. Bendamustine possesses three active moieties: an alkylating group; a benzimidazole ring, which may act as a purine analogue; and a butyric acid side chain. Although its exact mechanism of action is unknown this agent appears to act primarily as an alkylator. Bendamustine metabolites alkylate and crosslink macromolecules, resulting in DNA, RNA and protein synthesis inhibition, and, subsequently, apoptosis. Bendamustine may differ from other alkylators in that it may be more potent in activating p53-dependent stress pathways and inducing apoptosis; it may induce mitotic catastrophe; and it may activate a base excision DNA repair pathway rather than an alkyltransferase DNA repair mechanism. Accordingly, this agent may be more efficacious and less susceptible to drug resistance than other alkylators.

이름 및 식별자

우선 이름
Bendamustine Hydrochloride
IUPAC
4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid;hydrochloride
영어명
Bendamustine hydrochloride
분자식
C16H22Cl3N3O2
분자량
394.72

이름 및 동의어

Bendamustine hydrochloride3543-75-7Bendamustine HClTreandaRibomustinBendamustin hydrochlorideBendekaRibomustineSyB L-0501VIVIMUSTALevactNSC-138783
이름 더 보기
BendaMustine hydrochloride hydrateEP3101SDX 105DD6304600CYTOSTASANZIMET-33/93Cytostasane
SYBL-0501981Y8SX18MDTXSID40188912NSC1387831H-Benzimidazole-2-butanoic acid, 5-(bis(2-chloroethyl)amino)-1-methyl-, monohydrochloride2-Benzimidazolinebutryric acid, 1-methyl-5-bis(2-chloroethyl)amino-, hydrochloridebendamustinBelrapzo

데이터베이스 식별자

CAS
3543-75-7
PubChem CID
77082
DTXSID
DTXSID40188912
ChEMBL
CHEMBL1201734
UNII
981Y8SX18M
EC Number
631-540-0

물성

구조 계산 물성

극성 표면적
58.4 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
9
무거운 원자 수
24

실험 및 물리화학적 성질

Human Drugs · 3건

Breast Feeding; Lactation; Antineoplastic Agents, Alkylating; Nitrosourea Compounds

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

물리화학적 성질

녹는점
149 · 149-151°C
저장 조건
room temp
용해도
2 O: · H2O: >30mg/mL
물리적 상태
가루
색상
회백색
Merck
14 · 14,1034

화학적 성질

Pale Brown Crystals

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (95.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (95.9%)

독성 정보

Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Bendamustine hydrochloride

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

안전 데이터

wgk
3
rtecs
DE1590000
ridadr
UN 2811 6.1 / PGIII
독성
LD50 (monohydrate) in mice, rats (mg/kg): 400-500, 200-300 orally; 80, 40 i.v. (Horn)
HS 번호
29339900
risk_code
60-61-22-40

화학 및 산업

약리 정보

FDA Pharmacological Classification · 4건

BENDAMUSTINE HCL

Alkylating Drug [EPC]; Alkylating Activity [MoA]

BENDAMUSTINE HYDROCHLORIDE

Alkylating Drug [EPC]; Alkylating Activity [MoA]

MeSH Pharmacological Classification · 1건

A class of drugs that differs from other alkylating agents used clinically in that they are monofunctional and thus unable to cross-link cellular macromolecules. Among their common properties are a requirement for metabolic activation to intermediates with antitumor efficacy and the presence in their chemical structures of N-methyl groups, that after metabolism, can covalently modify cellular DNA. The precise mechanisms by which each of these drugs acts to kill tumor cells are not completely understood. (From AMA, Drug Evaluations Annual, 1994, p2026)

응용 분야 · 2건

용도Bendamustine hydrochloride hydrate has been used as: a chemotherapy agent for chronic lymphocytic leukemia (CLL) samples to monitor spliced and unspliced gene expression an inhibitor to E3 ubiquitin-protein ligase RNF3 (HOIP) inmatrix-assisted laser desorption ionization time-of-flight mass spectrometry(MALDI-TOF) assaya cytotoxic chemotherapeutic drug in high-throughput screening to test interaction with BAY87-2243

일반 설명Bendamustine comprises 2-chloroethylamine alkylating group, a butyric acid side chain and a benzimidazole ring in its structure and is a nitrogen mustard. It is catabolized in the liver by the enzyme cytochrome P450 1A2 into γ hydroxyl-bendamustine and N-desmethyl-bendamustine.

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]

관련 반응

23건

연결된 노트

불러오는 중…