Reversine

HCID 210332CAS 656820-32-5

기본 정보

표준 SMILES
c1nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(NC3CCCCC3)c2[nH]1
InChIKey
ZFLJHSQHILSNCM-UHFFFAOYSA-N
분자식
C21H27N7O
평균 분자량
393.5 g/mol
단동위원소 질량
393.22770851

이름 및 식별자

우선 이름
Reversine
IUPAC
6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine
영어명
REVERSINE
분자식
C21H27N7O
분자량
393.49

이름 및 동의어

Reversine656820-32-52-(4-Morpholinoanilino)-6-cyclohexylaminopurineCHEBI:70723Z499CLJ023DTXSID8041113N(6)-cyclohexyl-N(2)-[4-(morpholin-4-yl)phenyl]-9H-purine-2,6-diamineN(6)-cyclohexyl-N(2)-(4-(morpholin-4-yl)phenyl)-9H-purine-2,6-diamineRefChem:179034DTXCID6021113636-256-0C21H27N7O
이름 더 보기
CS-870Reversine, >96%Reversine, >=98%REVERSINE USP/EP/BPPicropodophyllin (PPP)Reversine, 10 mM in DMSOReversine, Cell-permeable A3 receptor antagonist
N6-cyclohexyl-N2-(4-morpholinophenyl)-7H-purine-2,6-diamineCHEMBL188343N6-cyclohexyl-N2-(4-morpholinophenyl)-9H-purine-2,6-diamineMFCD07784513N~6~-Cyclohexyl-N~2~-(4-Morpholin-4-Ylphenyl)-9h-Purine-2,6-Diamine2vgoUNII-Z499CLJ023Reversine?

데이터베이스 식별자

CAS
656820-32-5
PubChem CID
210332
DTXSID
DTXSID8041113
ChEMBL
CHEMBL188343
ChEBI
CHEBI:70723
UNII
Z499CLJ023
EC Number
636-256-0
Nikkaji
J2.006.667I

물성

구조 계산 물성

XLogP
3.9
극성 표면적
91 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
7
회전 가능 결합 수
5
무거운 원자 수
29

물리화학적 성질

녹는점
305 ℃ · 305℃ (decomposition)
끓는 점
736.4 · 736.4±70.0 °C(Predicted)
밀도
1.343 · 1.343±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C
용해도
7 mg/mL, · DMSO: 7 mg/mL, 가용성
물리적 상태
고체

안전 및 규제

GHS 분류

GHS Classification · 5건

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 38 reports by companies from 1 notifications to the ECHA C&L Inventory.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk
3
risk_code
22
hazard_code
Xn
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요Reversine is a 2,6-disubstituted purine derivative that was originally found to induce dedifferentiation of C2C12 culture myoblast cells into stem cell progenitors when used at a concentration of 5 μM for four days. Depending on cell type, reversine promotes either differentiation or dedifferentiation. For example, in NT2 neuronal and HL-60 human promyelocytic leukemia cells, it induces differentiation. It inhibits the Aurora A, B, and C kinases with IC50 values of 98-876 nM and acts as an antagonist at the adenosine A3 receptor with a Ki value of 0.66 μM. Reversine is also used for studies of chromosome segregation. It inhibits the mitotic spindle checkpoint enzyme MPS1 with IC50 values of 6 and 2.8 nM for its kinase domain and full-length version, respectively). Reversine induces autophagy in WRO human follicular thyroid cancer cells and decreases Akt/mTOR signaling.

용도Reversine acts as a potent human A3 adenosine receptor antagonist and pan-aurora A/B/C kinase inhibitor. Used for stem cell differentiation.

공급사50 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]
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]

추가 설명

정의ChEBI: A member of the class of purines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by a [4-(morpholin-4-yl)phenyl]nitrilo group and a cyclohexylamino group, respectively.

관련 반응

5건

연결된 노트

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