1400W이염소화물,96

1400w Dihydrochloride

HCID 2733515

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 214358-33-5
표준 SMILES: CC(N)=NCc1cccc(CN)c1.Cl.Cl
InChIKey: WDJHSQZCZGPGAA-UHFFFAOYSA-N
분자식: C10H17Cl2N3
평균 분자량: 250.17 g/mol
단동위원소 질량: 249.0799529

이름 및 식별자

우선 이름: 1400w Dihydrochloride
IUPAC: N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide;dihydrochloride
현지명: 1400W이염소화물,96
영어명: 1400 W Dihydrochloride, 96
분자식: C8H11NO
분자량: 137.17904

이름 및 동의어

1400W dihydrochloride214358-33-5W-1400 dihydrochlorideK1BH573TYJUNII-K1BH573TYJN-((3-(Aminomethyl)phenyl)methyl)-ethanimidamide dihydrochlorideEthanimidamide, N-((3-(aminomethyl)phenyl)methyl)-, hydrochloride (1:2)N-[[3-(AMINOMETHYL)PHENYL]METHYL]-ETHANIMIDAMIDE DIHYDROCHLORIDERefChem:197142N-(3-(Aminomethyl)Benzyl)Acetimidamide Dihydrochloriden-(3-(aminomethyl)benzyl)acetamidine dihydrochloride1400W 2HCl

이름 더 보기

1400W이염소화물,961400W2HCl1400W 2HCCAS:214358-33-51400W (hydrochloride)1400W, iNOS inhibitor1400 W Dihydrochloride, 961400W dihydrochloride, 10 mM in DMSO1400W - CAS 214358-33-5 - CalbiochemN-[3-(AMinoMethyl)benzyl]ethaniMidaMide dihydrochloride

MFCD034286221400W (dihydrochloride)N'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide;dihydrochlorideN-{[3-(AMINOMETHYL)PHENYL]METHYL}ETHANIMIDAMIDE DIHYDROCHLORIDECHEMBL544788SR-01000076199N-[3-(Aminomethyl)benzyl]acetimidamide DihydrochlorideN-[[3-(Aminomethyl)phenyl]methyl]ethanimidamide dihydrochloride

데이터베이스 식별자

CAS: 214358-33-5
PubChem CID: 2733515
ChEMBL: CHEMBL544788
UNII: K1BH573TYJ

물성

구조 계산 물성

극성 표면적: 64.4 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 177

물리화학적 성질

녹는점: 208 °C · 208 °C
저장 조건: -20 °C · -20°C
용해도: 물에 용해됩니다(최대 25mg/ml).
물리적 상태: 흰색 고체
색상: 하얀색
수용성: 100 mM까지 · 물에 100mM까지 용해됨
안정성: 1 · 용액은 신선하게 준비되어야 하며 영업일 기준 1일 이내에 사용해야 합니다.
InChI: 1S/C10H15N3.2ClH/c1-8(12)13-7-10-4-2-3-9(5-10)6-11;;/h2-5H,6-7,11H2,1H3,(H2,12,13);2*1H
InChIKey: WDJHSQZCZGPGAA-UHFFFAOYSA-N
SMILES: Cl[H].Cl[H].CC(=N)NCc1cccc(CN)c1

화학적 성질

white to off-white powder

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 29242998
safety_code: 22-24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도A selective inducible nitric oxide synthase (iNOS) inhibitor. A long-acting human iNOS inhibitor possessing an IC50 value of 2.0uM.

일반 설명A selective, cell-permeable, irreversible, slow, tight-binding inhibitor of inducible nitric oxide synthase (iNOS; Kd = 7 nM). Suitable for use in both in vitro and in vivo systems. Has a protective effect against cerebral ischemia by reducing ischemic lesion volumes. Exhibits greater than 5000- and 200-fold potency against human iNOS relative to eNOS and nNOS, respectively, and greater than 1000-fold potency against rat iNOS relative to eNOS.

공급사65 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

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