N1-(4-부틸-2-메틸페닐)아세트아미드

N-(4-butyl-2-methylphenyl)acetamide

HCID 2747581

기본 정보

CAS
143360-00-3
표준 SMILES
CCCCc1ccc(NC(C)=O)c(C)c1
InChIKey
ZFVMECVBUGMWIX-UHFFFAOYSA-N
분자식
C13H19NO
평균 분자량
205.3 g/mol
단동위원소 질량
205.14666423

개요

SMIP004 is a member of the class of N-benzylacetamides that is benzene substituted by acetylnitrilo, methyl, and butyl groups at positions 1, 2 and 4, respectively. It is a SKP2 E3 ligase inhibitor and a selective apoptosis inducer of human prostate cancer cells. It has a role as an autophagy inducer, an anticoronaviral agent, an antidepressant, an antineoplastic agent, an apoptosis inducer and an EC 6.3.2.19 (ubiquitin--protein ligase) inhibitor. It is a member of toluenes, an alkylbenzene and a member of N-benzylacetamides.

이름 및 식별자

우선 이름
N-(4-butyl-2-methylphenyl)acetamide
IUPAC
N-(4-butyl-2-methylphenyl)acetamide
현지명
N1-(4-부틸-2-메틸페닐)아세트아미드
영어명
N1-(4-Butyl-2-methylphenyl)acetamide
분자식
C13H19NO
분자량
205.3

이름 및 동의어

143360-00-3N-(4-butyl-2-methylphenyl)acetamideDTXSID40372672RefChem:361813DTXCID80323704861-489-1SMIP004N1-(4-butyl-2-methylphenyl)acetamideAcetamide,N-(4-butyl-2-methylphenyl)-MFCD00277686CHEMBL61021454'-(But-1-yl)-2'-methylacetanilide
이름 더 보기
N1-(4-부틸-2-메틸페닐)아세트아미드CS-1090SMIP-004SMIP-004SMIP004, 10 mM in DMSO4-N-BUTYL-2-METHYLACETANILIDESKP2 E3 Ligase Inhibitor II, SMIP004
N-(4-butyl-2-methyl-phenyl) acetamideN-(4-butyl-2-methyl-phenyl)acetamideMaybridge1_000068MixCom1_000134orb1307738SCHEMBL4393968SMIP 004SCHEMBL29715987

데이터베이스 식별자

CAS
143360-00-3
PubChem CID
2747581
DTXSID
DTXSID40372672
ChEMBL
CHEMBL6102145
ChEBI
CHEBI:230532
EC Number
861-489-1
Nikkaji
J1.597.674H

물성

구조 계산 물성

XLogP
3.1
극성 표면적
29.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
4
무거운 원자 수
15

실험 및 물리화학적 성질

LogP3.1

물리화학적 성질

끓는 점
343 · 343.0±21.0 °C(Predicted)
밀도
1.003 · 1.003±0.06 g/cm3(Predicted)
저장 조건
-20 °C · Store at -20°C
용해도
20.5 mg/mL · ≥ 20.5 mg/mL in DMSO, ≥ 53.6 mg/mL in EtOH with ultrasonic
산도 계수 (pKa)
15.14 · 15.14±0.70(Predicted)
물리적 상태
Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk
WGK 2
HS 번호
2924297099
스토리지 클래스
11 - Combustible Solids

화학 및 산업

공급사29 곳

Aladdin Scientific[email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
United Life Science020-82099279 18988941402 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]

관련 반응

0건

현재 필터 조건에 해당하는 반응 기록이 없습니다.

화합물 노트

불러오는 중…