기본 정보
- CAS
52497-36-6- 표준 SMILES
CC(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O- InChIKey
JQPDCKOQOOQUSC-OOZYFLPDSA-N- 분자식
- C10H17NO4
- 평균 분자량
- 215.25 g/mol
- 단동위원소 질량
- 215.11575802
이름 및 식별자
- 우선 이름
- Dihydrokainic acid
- IUPAC
- (2S,3S,4R)-3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid
- 영어명
- (2S,3S,4R)-2-Carboxy-4-isopropyl-3-pyrrolidineacetic acid
- 분자식
- C10H17NO4
- 분자량
- 215.25
이름 및 동의어
Dihydrokainic acid52497-36-6MQ4LMC2HN5(2S,3S,4R)-2-carboxy-4-(1-methylethyl)-3-pyrrolidineacetic acid(3S,4R)-3-(carboxymethyl)-4-(propan-2-yl)-L-prolineCHEBI:43562DTXSID20200489(2S-(2alpha,3beta,4beta))-2-Carboxy-4-(1-methylethyl)-3-pyrrolidineacetic acidRefChem:133855DTXCID70122980(2S-(2 alpha,3 beta,4 beta))-2-carboxy-4-(1-methylethyl)-3-pyrrolidineacetic acid637-065-5
이름 더 보기
DHKDihydrokainic acid, EAAT2 (GLT-1) inhibitor2-Carboxy-4-isopropyl-3-pyrrolidineacetic acid(2S,3S,4R)-3-(carboxymethyl)-4-isopropyl-proline(2S,3R,4R)-2-Carboxy-4-iospropyl-3-pyrrolidineacetic acid3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethyl)-, (2S,3S,4R)-(2S,3S,4R)-3-(carboxymethyl)-4-propan-2-yl-2-pyrrolidinecarboxylic acid
(2S,3S,4R)-2-Carboxy-4-isopropyl-3-pyrrolidineacetic acidCHEMBL279561(2S,3S,4R)-3-(carboxymethyl)-4-(propan-2-yl)pyrrolidine-2-carboxylic acid(2S,3S,4R)-3-(carboxymethyl)-4-isopropylpyrrolidine-2-carboxylic acid(2S,3S,4R)-3-(carboxymethyl)-4-propan-2-ylpyrrolidine-2-carboxylic acid1ftk1xhyUNII-MQ4LMC2HN5
데이터베이스 식별자
- CAS
52497-36-6- PubChem CID
- 107883
- DTXSID
DTXSID20200489- ChEBI
CHEBI:43562- UNII
- MQ4LMC2HN5
- EC Number
- 637-065-5
- Nikkaji
- J493.199H
물성
구조 계산 물성
- XLogP
- -1.7
- 극성 표면적
- 86.6 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 264
물리화학적 성질
- 녹는점
- 285 °C · 285 °C (decomp)
- 끓는 점
- 416.6 · 416.6±30.0 °C(Predicted)
- 밀도
- 1.187 · 1.187±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 2 O: · H2O: >10 mg/mL
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 2.11 · 2.11±0.60(Predicted)
- 색상
- 하얀색
- 수용성
- 25 mM · Soluble to 25 mM in water
- InChI
- 1S/C10H17NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h5-7,9,11H,3-4H2,1-2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1
- InChIKey
- JQPDCKOQOOQUSC-OOZYFLPDSA-N
- SMILES
- CC(C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- risk_code
- 20/21/22
- hazard_code
- Xn
- safety_code
- 26-36
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요Dihydrokainic acid (DHK) is an inhibitor of excitatory amino acid transporter 2 (EAAT2; Ki = 23 μM for glutamate uptake by COS cells expressing EAAT2). It is selective for EEAT2 over EAAT1 and EAAT3 (Ki = >3 mM for both). DHK microinfusion (5 nmol) into the rat infralimbic cortex reduces the time spent immobile in the forced swim test, indicating antidepressant-like behavior, an effect that is blocked by the AMPA receptor antagonist NBQX and the serotonin (5-HT) receptor subtype 5-HT1A antagonist WAY-100635 . It also increases glutamate and serotonin levels and the expression of c-Fos in the dorsal raphe nucleus. In contrast, DHK microinjection (6.25 nmol) into the rat prefrontal cortex (PFC) increases the latency to drink sucrose in a sucrose intake test, indicating anhedonia-like behavior. It also impairs memory acquisition, consolidation, and retrieval in mice in the novel object recognition test.
용도Dihydrokainic acid has been used as a glutamate transporter (GLT-1) inhibitor in the glutamate uptake assay of astrocytes and glial cells. It may be used as a GLT-1 inhibitor in Lateral habenula (LHb).
공급사20 곳
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
Ascent Scientific4401179829988 · [email protected]
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