N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

HCID 24795070CAS 1025065-69-3

기본 정보

표준 SMILES: CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
InChIKey: MHXGEROHKGDZGO-UHFFFAOYSA-N
분자식: C20H22F3N5O
평균 분자량: 405.4 g/mol
단동위원소 질량: 405.17764498

개요

N-[(1-methyl-4-piperidinyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-6-imidazo[1,2-b]pyridazinamine is a member of imidazoles.

이름 및 식별자

우선 이름: N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
IUPAC: N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
영어명: SGI-1776
분자식: C20H22F3N5O
분자량: 405.42

이름 및 동의어

SGI-17761025065-69-3SGI-1776 free baseN-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amineN-((1-methylpiperidin-4-yl)methyl)-3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-amineMFCD16659064Imidazo[1,2-b]pyridazin-6-amine, N-[(1-methyl-4-piperidinyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-CHEMBL195232972AUA0603WNSC800883NSC-800883N-[(1-Methyl-4-piperidinyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-imidazo[1,2-b]pyridazin-6-amine

이름 더 보기

CS-504I-1776S I-1776SGI-1776, >=98%SGI1776I-1776 free baseSGI-1776 USP/EP/BPPim-Kinase Inhibitor IX

SB19298AC-28432N-[(1-methyl-4-piperidyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amineCHEMBL1952141Imidazo(1,2-b)pyridazin-6-amine, N-((1-methyl-4-piperidinyl)methyl)-3-(3-(trifluoromethoxy)phenyl)-Imidazo[1,2-b]pyridazin-6-amine, N-[(1-methyl-4-piperidinyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-;Imidazo[1,2-b]pyridazin-6-amine, N-[(1-methyl-4-piperidinyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-N-((1-Methylpiperidin-4-yl)methyl)-3-(3-(trifluoromethoxy)phenyl)imidazo(1,2-b)pyridazin-6-amineN-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[2,1-f]pyridazin-6-amine

데이터베이스 식별자

CAS: 1025065-69-3
PubChem CID: 24795070
DTXSID: DTXSID10647329
ChEMBL: CHEMBL1952141、CHEMBL1952329
ChEBI: CHEBI:95061
UNII: 72AUA0603W

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 54.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 5
무거운 원자 수: 29
형식 전하: 0
복잡도: 529

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

밀도: 1.37 · 1.37
저장 조건: -20 °C · Store at -20°C
용해도: 40.5 mg/mL · ≥40.5 mg/mL in DMSO; insoluble in H2O; ≥101 mg/mL in EtOH
산도 계수 (pKa): 9.22 · 9.22±0.10(Predicted)
물리적 상태: 고체
색상: White to yellow

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도SGI-1776 is a Pim-1 kinase inhibitor. Potent PIM inhibitor.

상·하류 제품 정보

상류 원료

(1-메틸-4-피페리디닐)메탄아민 Imidazo[1,2-b]pyridazine, 6-chloro-3-[3-(trifluoromethoxy)phenyl]-톨루엔 소디움-t-부톡시드

공급사50 곳

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

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]

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

成都彼样生物科技有限公司18108052721 · [email protected]

연결된 노트

불러오는 중…