N-(6-chloro-7-methoxy-9H-beta-carbolin-8-yl)-2-methylnicotinamide

HCID 9929127

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 783348-36-7
표준 SMILES: COc1c(Cl)cc2c([nH]c3cnccc32)c1NC(=O)c1cccnc1C
InChIKey: ZNOLRTPMNMPLHY-UHFFFAOYSA-N
분자식: C19H15ClN4O2
평균 분자량: 366.8 g/mol
단동위원소 질량: 366.0883534

개요

a potent and selective small molecule inhibitor of IKKbeta

이름 및 식별자

우선 이름: N-(6-chloro-7-methoxy-9H-beta-carbolin-8-yl)-2-methylnicotinamide
IUPAC: N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide
영어명: MLN-120B
분자식: C19H15ClN4O2
분자량: 366.8

이름 및 동의어

n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamideN-[6-chloro-7-methoxy-9h-beta-carbolin-8-yl]-2-methylnicotinamideRefChem:159257ML 120B783348-36-7MLN120BMLN-120Bml120bN-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-2-methylnicotinamideML-120BGD8S432HM5UNII-GD8S432HM5

이름 더 보기

MLN 120BMLN120B ，S7736MLN120B, 10 mM in DMSOMLN 120BMLN 120BML 120B dihydrochloride(free base)

N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamideCHEMBL608154DTXSID50432993BDBM50309910N-(6-Chloro-7-methoxy-9H-pyrido(3,4-b)indol-8-yl)-2-methylpyridine-3-carboxamideNCGC00263021-013-Pyridinecarboxamide, N-(6-chloro-7-methoxy-9H-pyrido(3,4-b)indol-8-yl)-2-methyl-N-(6-chloro-7-methoxy-9H-beta-carbolin-8-yl)-2-methyl-nicotinamide

데이터베이스 식별자

CAS: 783348-36-7
PubChem CID: 9929127
DTXSID: DTXSID50432993
ChEMBL: CHEMBL608154
UNII: GD8S432HM5
EC Number: 809-486-6

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 79.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 26
형식 전하: 0
복잡도: 522

물리화학적 성질

저장 조건: -20 °C · Store at -20°C
용해도: 2 O; · insoluble in H2O; ≥13.2 mg/mL in DMSO; ≥8.53 mg/mL in EtOH with gentle warming and ultrasonic
물리적 상태: 고체
색상: Off-white to light yellow
InChI: 1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
InChIKey: ZNOLRTPMNMPLHY-UHFFFAOYSA-N
SMILES: Clc1cc2c([nH]c4c2ccnc4)c(c1OC)NC(=O)c3c(nccc3)C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: WGK 3
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도ML 120B is a novel competitive inhibitor of ATP and i-kappa-kinase-2 (IKK2), key regulator in the survival, proliferation and apoptosis resistance of lymphoma cells.

공급사65 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [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]

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