기본 정보
- CAS
1032349-77-1- 표준 SMILES
NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1- InChIKey
ULDXWLCXEDXJGE-UHFFFAOYSA-N- 분자식
- C25H21N5O
- 평균 분자량
- 407.5 g/mol
- 단동위원소 질량
- 407.17461031
개요
MK-2206 is an organic heterotricyclic compound that is [1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one substituted by 4-(1-aminocyclobutyl)phenyl and phenyl groups at positions 8 and 9, respectively. It is an allosteric Akt inhibitor. It has a role as an autophagy inducer, an antineoplastic agent, an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor and an apoptosis inducer. It is a member of cyclobutanes, a member of benzenes, an organic heterotricyclic compound and a primary amino compound.
이름 및 식별자
- 우선 이름
- Mk-2206
- IUPAC
- 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-one
- 영어명
- MK-2206
- 분자식
- C25H21N5O
- 분자량
- 407.47
이름 및 동의어
MK-2206MK22068-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-oneMK 220651HZG6MP1KDTXSID3048948DTXCID0028874CHEBI:672711,2,4-Triazolo(3,4-f)(1,6)naphthyridin-3(2H)-one, 8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl(1,2,4)triazolo(3,4-f)(1,6)naphthyridin-3(2H)-one8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-2H-(1,2,4)triazolo(3,4-f)(1,6)naphthyridin-3-one
이름 더 보기
MK-2206(FREE BASE)Benodanil Impurity 88-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-ol1,2,4-Triazolo[3,4-f][1,6]naphthyridin-3(2H)-one, 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-
RefChem:5532191032349-77-14HA45S22ZZ1032349-93-1MK-2206 free baseMK-2206 (free base)CHEMBL10791758-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 83.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 760
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P272, P280, P301+P317, P302+P352, P319, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 35 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
화학 및 산업
응용 분야
용도A highly selective inhibitor of Akt. Akt1, IC50=8 nM; Akt2, IC50=12 nM; Akt3, IC50=65 nM.
공급사26 곳
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
济南精合医药科技有限公司0531-88811783 · [email protected]
Wuhan NCE Biomedical Co.,Ltd.4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988
Shanghai Witofly Chemical Co.,Ltd[email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
汇聚化学（上海）有限公司021-34799779 18918539052 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
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