기본 정보
- CAS
132746-60-2- 표준 SMILES
COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1- InChIKey
FLNYLINBEZROPL-NSOVKSMOSA-N- 분자식
- C28H32N2O
- 평균 분자량
- 412.6 g/mol
- 단동위원소 질량
- 412.25146365
개요
structure given in first source; potent nonpeptide antagonist of the substance P (NK1) receptor; CP 96344 is enantiomer of CP 96345
이름 및 식별자
- 우선 이름
- CP 96345
- IUPAC
- (2S,3S)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
- 영어명
- CP 96345
- 분자식
- C28H32N2O
- 분자량
- 412.57
이름 및 동의어
132746-60-2CP-96345CP 96345CP 96,345CP 963442-(Diphenylmethyl)-N-((2-methoxyphenyl)methyl)-1-azabicyclo(2.2.2)octan-3-amineW22ILA2I52(2S,3S)-2-(Diphenylmethyl)-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine1-Azabicyclo(2.2.2)octan-3-amine, 2-(diphenylmethyl)-N-((2-methoxyphenyl)methyl)-, (2S-cis)-1-AZABICYCLO(2.2.2)OCTAN-3-AMINE, 2-(DIPHENYLMETHYL)-N-((2-METHOXYPHENYL)METHYL)-, (2S,3S)-1-Azabicyclo[2.2.2]octan-3-amine, 2-(diphenylmethyl)-N-[(2-methoxyphenyl)methyl]-, (2S,3S)-CP-96,344
이름 더 보기
CP-96345-1(2S)-N-(2-Methoxybenzyl)-2β-benzhydryl-1-azabicyclo[2.2.2]octane-3β-amine(2S)-2β-Diphenylmethyl-3β-(2-methoxybenzylamino)-1-azabicyclo[2.2.2]octane(2S)-2β-(Diphenylmethyl)-N-(2-methoxybenzyl)-1-azabicyclo[2.2.2]octan-3β-amine(2S,3S)-N-(2-Methoxyphenyl)methyl-2-diphenylmethyl-1-azabicyclo[2.2.2]octan-3-amine(2S)-2β-(Diphenylmethyl)-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3β-amine(2S-cis)-2-(DiphenylMethyl)-N-[(2-Methoxyphenyl)Methyl]- 1-azabicyclo[2.2.2]octan-3-aMine
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 24.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 515
물리화학적 성질
- 저장 조건
- room temp
- 용해도
- 24 mg/mL · DMSO: 가용성24mg/mL
- 물리적 상태
- 백색분말
- 색상
- Off-white to light yellow
- InChI
- 1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1
- InChIKey
- FLNYLINBEZROPL-NSOVKSMOSA-N
- SMILES
- COC1=CC=CC=C1CN[C@@H]2[C@H](C(C3=CC=CC=C3)C4=CC=CC=C4)N5CCC2CC5
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 22-36/37/38-50/53
- hazard_code
- Xn,N
- safety_code
- 26-60-61
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
응용 분야
용도CP 96345 is a potent and selective non-peptide NK1 receptor antagonist. CP 96345 attenuates substance P-induced salivary response and inhibits neurogenic inflammation in vivo.
공급사18 곳
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
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