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기본 정보
- CAS
935666-88-9- 표준 SMILES
Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)n[nH]1- InChIKey
PDOQBOJDRPLBQU-QMMMGPOBSA-N- 분자식
- C14H14ClFN8
- 평균 분자량
- 348.76 g/mol
- 단동위원소 질량
- 348.1013983
이름 및 식별자
- 우선 이름
- Azd-1480
- IUPAC
- 5-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
- 영어명
- AZD 1480
- 분자식
- C14H14ClFN8
- 분자량
- 348.77
이름 및 동의어
AZD1480935666-88-9AZD-1480AZD 1480KL2Z2TLF015-Chloro-N2-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethyl]-N4-(5-Methyl-1h-Pyrazol-3-Yl)pyrimidine-2,4-DiamineDTXSID502394692,4-Pyrimidinediamine, 5-chloro-N2-((1S)-1-(5-fluoro-2-pyrimidinyl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)-2,4-Pyrimidinediamine, 5-chloro-N2-[(1S)-1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)-5-chloro-2-N-((1S)-1-(5-fluoropyrimidin-2-yl)ethyl)-4-N-(3-methyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine5-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine5-chloro-N2-((1S)-1-(5-fluoropyrimidin-2-yl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
이름 더 보기
AZD1480, >=98%AZD1480 ，S2162AZD-1480, 10 mM in DMSOAZD1480, 98%, a novel ATP-competitive JAK2 inhibitor(S)-5-Chloro-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-(S)-5-chloro-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamin
RefChem:115989DTXCID20161960JAK2 INHIBITOR AZD1480(S)-5-chloro-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamineC14H14ClFN8MFCD160389045-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamineCHEMBL1231124
데이터베이스 식별자
- CAS
935666-88-9- PubChem CID
- 16659841
- DTXSID
DTXSID50239469- ChEMBL
CHEMBL1231124- UNII
- KL2Z2TLF01
- EC Number
- 641-076-0
- Nikkaji
- J3.540.767G
물성
구조 계산 물성보충 중
- XLogP
- 2.4
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 397
물리화학적 성질
- 녹는점
- 205 °C · >205°C (dec.)
- 끓는 점
- 575.2 · 575.2±60.0 °C(Predicted)
- 밀도
- 1.517 · 1.517
- 저장 조건
- -20 °C · -20°C
- 용해도
- 클로로포름(약간 용해됨, 가열), DMSO(약간 용해됨, 가열), 메탄올(약간 용해됨, 가열)
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 13.73 · 13.73±0.10(Predicted)
- 색상
- 흰색에서 베이지색
- InChI
- InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1
- InChIKey
- PDOQBOJDRPLBQU-QMMMGPOBSA-N
- SMILES
- C1(N[C@H](C2=NC=C(F)C=N2)C)=NC=C(Cl)C(NC2C=C(C)NN=2)=N1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H361 (75%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]；H372 (75%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
P203, P260, P264, P270, P280, P301+P316, P301+P317, P318, P319, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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. 3 (75%)；Acute Tox. 4 (25%)；Repr. 2 (75%)；STOT RE 1 (75%)
안전 데이터
- wgk
- WGK 3
- HS 번호
- 29335990
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도AZD1480 has been used as an inhibitor of janus kinase 2 (JAK2) and signal transducer and activator of transcription 3 (STAT3) in an in vitro cell model of upper gastrointestinal adenocarcinoma. It has also been used in combination with bortezomib to study tumor-associated macrophage-mediated survival of myeloma cells.
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