4-(2-Methyl-1-(1-methylethyl)-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)-2-pyrimidinamine

HCID 16747683

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 602306-29-6
표준 SMILES: Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C
InChIKey: WJRRGYBTGDJBFX-UHFFFAOYSA-N
분자식: C18H21N5O2S
평균 분자량: 371.5 g/mol
단동위원소 질량: 371.14159591

개요

4-(2-methyl-3-propan-2-yl-4-imidazolyl)-N-(4-methylsulfonylphenyl)-2-pyrimidinamine is a sulfonamide.

이름 및 식별자

우선 이름: 4-(2-Methyl-1-(1-methylethyl)-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)-2-pyrimidinamine
IUPAC: 4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine
영어명: AZD 5438
분자식: C18H21N5O2S
분자량: 371.46

이름 및 동의어

602306-29-6AZD-5438DTXSID5010256802-Pyrimidinamine, 4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]-N-[4-(methylsulfonyl)phenyl]-2-PYRIMIDINAMINE, 4-(2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL)-N-(4-(METHYLSULFONYL)PHENYL)-4-(2-Methyl-1-(1-methylethyl)-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)-2-pyrimidinamineRefChem:1069835DTXCID801509946AZD5438AZD 54384-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)pyrimidin-2-amine4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine

이름 더 보기

AZDCS-1903AZD5438, >=98%AZD5438 ，S2621AZD 5438 USP/EP/BPAZD5438 >=97% (HPLC)AZD-5438, 10 mM in DMSO4-[2-Methyl-1-(1-Methylethyl)-1H-iMidazol-5-yl]-N-[4-(Methylsulfonyl)phenyl]-

MLS006011033CHEMBL488436MMV676604s2621276Z913G29SR-050000225354-(1-isopropyl-2-methylimidazol-5-yl)-2-(4-mesylanilino)pyrimidine4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine

데이터베이스 식별자

CAS: 602306-29-6
PubChem CID: 16747683
DTXSID: DTXSID501025680
ChEMBL: CHEMBL488436
ChEBI: CHEBI:91419
UNII: 276Z913G29
Nikkaji: J2.848.411I

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 98.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 5
무거운 원자 수: 26
형식 전하: 0
복잡도: 556

물리화학적 성질

끓는 점: 655.2 · 655.2±65.0 °C(Predicted)
밀도: 1.31 · 1.31
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: 2 O; · insoluble in H2O; ≥18.55 mg/mL in DMSO; ≥42.1 mg/mL in EtOH
물리적 상태: 고체
산도 계수 (pKa): 4.08 · 4.08±0.50(Predicted)
색상: White to light yellow
InChI: InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)
InChIKey: WJRRGYBTGDJBFX-UHFFFAOYSA-N
SMILES: C1(NC2=CC=C(S(C)(=O)=O)C=C2)=NC=CC(C2N(C(C)C)C(C)=NC=2)=N1

안전 및 규제

안전 데이터

wgk: WGK 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

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]

咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]

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