PF-06447475

HCID 72706840

기본 정보

CAS: 1527473-33-1
표준 SMILES: N#Cc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1
InChIKey: BHTWDJBVZQBRKP-UHFFFAOYSA-N
분자식: C17H15N5O
평균 분자량: 305.33 g/mol

개요

PF-06447475 is an organic molecular entity. It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor.

이름 및 식별자

우선 이름: PF-06447475
IUPAC: 3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile
영어명: PF-06447475
분자식: C17H15N5O
분자량: 305.33

이름 및 동의어

PF-06447475RefChem:1722541527473-33-13-(4-morpholino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrilePF06447475MFCD28347838PF 06447475CHEMBL33933483-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile3-(4-(morpholin-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile3FE

이름 더 보기

CS-1734PF-06447475, >98%PF-06447475 ，S8202PF-06447475, 10 mM in DMSO3-[4-(4-Morpholinyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-benzonitrileBenzonitrile, 3-[4-(4-morpholinyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-

GTPL8054orb1226149orb1306636SCHEMBL15401353SCHEMBL29429971SCHEMBL30552996EX-A560BHTWDJBVZQBRKP-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 1527473-33-1
PubChem CID: 72706840
ChEMBL: CHEMBL3393348
ChEBI: CHEBI:233295
EC Number: 808-609-0
Nikkaji: J3.391.847J

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 77.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 23
형식 전하: 0
복잡도: 457

물리화학적 성질

녹는점: 223 °C · >223°C (dec.)
밀도: 1.4 · 1.40±0.1 g/cm3(Predicted)
저장 조건: room temp
용해도: 10 mg/mL, · DMSO: 용해성10mg/mL, 투명
산도 계수 (pKa): 12.96 · 12.96±0.50(Predicted)
물리적 상태: 가루
색상: 흰색에서 베이지색
InChI: InChI=1S/C17H15N5O/c18-9-12-2-1-3-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-4-6-23-7-5-22/h1-3,8,10-11H,4-7H2,(H,19,20,21)
InChIKey: BHTWDJBVZQBRKP-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=CC(C2C3=C(N4CCOCC4)N=CN=C3NC=2)=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

ridadr: UN 2811 6.1 / PGIII
risk_code: 25
hazard_code: T
safety_code: 45

화학 및 산업

응용 분야

용도PF 06447475 is a highly potent LRRK2 kinase inhibitor. Highly selective, and mobile, it is used in the treatment of Parkinson’s disease which has been linked to Leucine rich repeat kinase 2 (LRRK2) enzymes.

상·하류 제품 정보

상류 원료

Benzonitrile, 3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-iodo-7-[[2-(trimethylsilyl)ethoxy]methyl]-4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine 3-Cyanophenylboronic acid 모르폴린 N,N-다이아이소프로필에틸아민 tert-부틸알코올

공급사84 곳

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

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