기본 정보
- 표준 SMILES
N[C@@H](CCC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)O)C(=O)O- InChIKey
HYHSBSXUHZOYLX-WDSKDSINSA-N- 분자식
- C10H16N4O7S
- 평균 분자량
- 336.32 g/mol
- 단동위원소 질량
- 336.07396985
개요
S-nitrosoglutathione is a glutathione derivative that is glutathione in which the hydrogen attached to the sulfur has been replaced by a nitroso group. It has a role as a bronchodilator agent, a platelet aggregation inhibitor, a nitric oxide donor and a signalling molecule. It is a nitrosothio compound and a glutathione derivative. It is a conjugate acid of a S-nitrosoglutathione(2-).
이름 및 식별자
- 우선 이름
- S-Nitrosoglutathione
- IUPAC
- (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-nitrososulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- 현지명
- S-니트로소글루타티온
- 영어명
- S-NITROSOGLUTATHIONE
- 분자식
- C10H16N4O7S
- 분자량
- 336.32
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
57564-91-7- PubChem CID
- 104858
- DTXSID
DTXSID1040613- ChEMBL
CHEMBL63507- ChEBI
CHEBI:50091- UNII
- 78RRI89ZTO
- EC Number
- 637-341-5
- Nikkaji
- J361.904D
물성
구조 계산 물성
- XLogP
- -4.8
- 극성 표면적
- 214 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 445
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 170 °C · >170°C (dec.)
- 밀도
- 1.68 · 1.68
- 굴절률
- 1.6 · 1.6000 (estimate)
- 저장 조건
- -20 °C · -20°C
- 용해도
- DMSO(약간 용해됨), 물(약간 용해됨)
- 물리적 상태
- 분홍색 고체
- 산도 계수 (pKa)
- 2.21 · 2.21±0.10(Predicted)
- 색상
- 미색에서 분홍색까지
- 수용성
- 100 mM까지 · 물에 100mM까지 용해됨
- 안정성
- 흡습성
- InChI
- InChI=1/C10H16N4O7S/c11-5(10(19)20)1-2-7(15)13-6(4-22-14-21)9(18)12-3-8(16)17/h5-6H,1-4,11H2,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/t5-,6-/s3
- InChIKey
- HYHSBSXUHZOYLX-FJGCHTOXNA-N
- SMILES
- [C@@H](CSN=O)(NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O |&1:0,10,r|
화학적 성질
Pink Powder
안전 및 규제
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
안전 데이터
- wgk
- 3
- rtecs
- MC0558000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Agents that cause an increase in the expansion of a bronchus or bronchial tubes.
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Drugs used to cause dilation of the blood vessels.
Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.
A diverse group of agents, with unique chemical structures and biochemical requirements, which generate NITRIC OXIDE. These compounds have been used in the treatment of cardiovascular diseases and the management of acute myocardial infarction, acute and chronic congestive heart failure, and surgical control of blood pressure. (Adv Pharmacol 1995;34:361-81)
응용 분야
개요S-Nitroso-L-glutathione is an S-nitrosothiol NO donor based on naturally-occurring glutathione. It is a potent smooth muscle relaxant and inhibitor of platelet aggregation. Its stability in solution varies from seconds to hours depending on temperature, buffer composition, and metal content.
용도S-Nitrosoglutathione (GSNO) has been used:as a standard in reversed phase chromatography coupled to chemical vapour generation and atomic fluorescence detector (RPC-CVGAFS) and reversed phase chromatography fluorimetric (RPC-FD).as a standard in spectrophotometric and high-performance liquid chromatography (HPLC) assay.
일반 설명A utility carrier of nitric oxide. Breaks down at physiological pH to produce nitric oxide. Causes smooth muscle relaxation and inhibits platelet aggregation. Induces apoptosis in mouse thymocytes. Note: 1 set = 5 x 2.5 mg.
상·하류 제품 정보
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하류 제품
공급사50 곳
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