기본 정보
- CAS
159190-45-1- 표준 SMILES
CC(N)=NCCCC[C@H](N)C(=O)O.Cl.Cl- InChIKey
OQIBCXRAFAHXMM-KLXURFKVSA-N- 분자식
- C8H19Cl2N3O2
- 평균 분자량
- 260.16 g/mol
- 단동위원소 질량
- 259.0854322
개요
N(6)-acetimidoyl-L-lysine dihydrochloride is a hydrochloride salt prepared from N6-acetimidoyl-L-lysine and two equivalents of hydrogen chloride. A selective inhibitor of inducible nitric oxide synthase. It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It contains a N(6)-acetimidoyl-L-lysinium(2+).
이름 및 식별자
- 우선 이름
- N-Iminoethyl-L-lysine dihydrochloride
- IUPAC
- (2S)-2-amino-6-(1-aminoethylideneamino)hexanoic acid;dihydrochloride
- 영어명
- L-N6-(1-Iminoethyl)lysine dihydrochloride
- 분자식
- C8H18ClN3O2
- 분자량
- 223.7
이름 및 동의어
L-N6-(1-Iminoethyl)lysine dihydrochloride159190-45-1N-iminoethyl-L-lysine dihydrochloride8BL5V0T01YL-Lysine, N6-(1-iminoethyl)-, dihydrochlorideL-Lysine, N6-(1-iminoethyl)-, hydrochloride (1:2)DTXSID3040562RefChem:830152DTXCID1020562L-NIL dihydrochlorideL-NIL (dihydrochloride)L-NIL (hydrochloride)
이름 더 보기
L-NIL HCLL-NIL 2HClL-N6-(1-Iminoethyl)lysineOQIBCXRAFAHXMM-KLXURFKVSA-NL-N6-(1-IMINOETHYL)-LYSINE 2HCLL-N6-(1-IMINOETHYL)LYSINE, DIHCLL-Lysine ω-acetamidine dihydrochlorideN6-(1-Iminoethyl)lysine dihydrochloride
UNII-8BL5V0T01YCHEMBL1744034(2S)-2-amino-6-(1-aminoethylideneamino)hexanoic acid;dihydrochlorideAKOS027320886N(6)-acetimidoyl-L-lysine dihydrochlorideL-N(6)-(1-iminoethyl)lysine dihydrochlorideSCHEMBL677147CHEBI:63964
데이터베이스 식별자
- CAS
159190-45-1- PubChem CID
물성
구조 계산 물성
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 192
물리화학적 성질
- 저장 조건
- -20 °C · -20°C
- 용해도
- 15 mg/mL; · DMF: 15 mg/mL; DMSO: 15 mg/mL; Ethanol: 1 mg/mL; PBS: 30 mg/mL; Water: 50 mg/ml
- 물리적 상태
- 흰색 내지 회백색 고체.
- 생물학적 소스
- synthetic (organic)
- 수용성
- 50 mg/mL, · water: 50mg/mL, clear, colorless
- InChI
- 1S/C8H17N3O2.2ClH/c1-6(9)11-5-3-2-4-7(10)8(12)13;;/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13);2*1H/t7-;;/m0../s1
- InChIKey
- OQIBCXRAFAHXMM-KLXURFKVSA-N
- SMILES
- Cl.Cl.CC(=N)NCCCC[C@H](N)C(O)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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 CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요L-NIL is a relatively selective inhibitor of iNOS. It exhibits IC50 values of 0.4-3.3 μM for iNOS as opposed to 8-38 and 17-92 μM for eNOS and nNOS, respectively. L-NIL effectively inhibits iNOS both in vitro and in vivo. L-NIL has been used to demonstrate a critical role for iNOS in the immune response to infection by the protozoan L. major.
용도L-N6-(1-Iminoethyl)lysine dihydrochloride has been used as an inducible nitric oxide synthase (iNOS) inhibitor: to study its effects on leptin-induced modulation of fibronectin type III domain-containing five (FNDC5)/irisin in myocytes and fat cells of murineto study its effects on leptin-induced inflammation in hepatocytes to block the production of nitric oxide in mice bone marrow mesenchymal stromal cells (BMSCs)
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