기본 정보
- CAS
3715-10-4- 표준 SMILES
NC(N)=NCCCC(=O)C(=O)O- InChIKey
ARBHXJXXVVHMET-UHFFFAOYSA-N- 분자식
- C6H11N3O3
- 평균 분자량
- 173.17 g/mol
- 단동위원소 질량
- 173.08004122
개요
5-guanidino-2-oxopentanoic acid is a 2-oxo monocarboxylic acid that is 2-oxopentanoic acid in which one of the methyl hydrogens is substituted by a carbamimidamido group. It has a role as a mouse metabolite and a human metabolite. It is functionally related to a valeric acid. It is a conjugate acid of a 5-guanidino-2-oxopentanoate. It is a tautomer of a 5-guanidino-2-oxopentanoic acid zwitterion.
이름 및 식별자
- 우선 이름
- alpha-keto-delta-Guanidinovaleric acid
- IUPAC
- 5-(diaminomethylideneamino)-2-oxopentanoic acid
- 현지명
- 5-(디아미노메틸리덴아미노)-2-옥소-펜탄산
- 영어명
- 5-(diaminomethylideneamino)-2-oxo-pentanoic acid
- 분자식
- C6H11N3O3
- 분자량
- 173.17
이름 및 동의어
3715-10-45-carbamimidamido-2-oxopentanoic acidalpha-Keto-delta-guanidinovaleric acid2-Oxo-5-guanidinovaleric acidDTXSID001906325-((Aminoiminomethyl)amino)-2-oxopentanoic acidRefChem:555765DTXCID40113123847-966-72-oxoarginine5-guanidino-2-oxopentanoic aciddelta-Guanido-a-ketovaleric Acid
이름 더 보기
5-(디아미노메틸리덴아미노)-2-옥소-펜탄산-Guanido-α-ketovalericAcidAKA 2-OxoarginineArginine Impurity 33δ-Guanido-α-ketovaleric Acidδ-Guanido-α-ketovaleric Acidα-keto-δ-Guanidinovaleric acid
2-Oxo-5-guanidinopentanoate5-(diaminomethylideneamino)-2-oxopentanoic acid5-Guanidino-2-oxo-pentanoate5-[(diaminomethylidene)amino]-2-oxopentanoic acid2-Oxo-5-guanidino-pentanoate5-(DIAMINOMETHYLIDENEAMINO)-2-OXO-PENTANOIC ACIDdelta-Guanido-alpha-ketovaleric acid5-Guanidino-2-oxovaleric acid
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- -1.6
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 208
실험 및 물리화학적 성질
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 350 °C · >350 °C
- 끓는 점
- 331.8 · 331.8±44.0 °C(Predicted)
- 밀도
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer, Under inert atmosphere
- 용해도
- DMSO (약간 용해됨), 메탄올(매우 소량, 가열), 물 (약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 2.54 · 2.54±0.54(Predicted)
- 색상
- 흰색에서 황백색까지
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 2 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%)
독성 정보
TreatmentKidney dialysis is usually needed to relieve the symptoms of uremic syndrome until normal kidney function can be restored.
Health EffectsChronic exposure to uremic toxins can lead to a number of conditions including renal damage, chronic kidney disease and cardiovascular disease.
Exposure RoutesEndogenous, Ingestion, Dermal (contact)
Toxicity Summary
Uremic toxins such as alpha-keto-delta-guanidinoacetic acid are actively transported into the kidneys via organic ion transporters (especially OAT3). Increased levels of uremic toxins can stimulate the production of reactive oxygen species. This seems to be mediated by the direct binding or inhibition by uremic toxins of the enzyme NADPH oxidase (especially NOX4 which is abundant in the kidneys and heart) (A7868). Reactive oxygen species can induce several different DNA methyltransferases (DNMTs) which are involved in the silencing of a protein known as KLOTHO. KLOTHO has been identified as having important roles in anti-aging, mineral metabolism, and vitamin D metabolism. A number of studies have indicated that KLOTHO mRNA and protein levels are reduced during acute or chronic kidney diseases in response to high local levels of reactive oxygen species (A7869).
화학 및 산업
약리 정보
Metabolism/MetabolitesUremic toxins tend to accumulate in the blood either through dietary excess or through poor filtration by the kidneys. Most uremic toxins are metabolic waste products and are normally excreted in the urine or feces.
Cellular LocationsExtracellular
Metabolite PathwaysD-Arginine and D-Ornithine Metabolism
용도 및 제조
UsesNaturally produced by the body (endogenous).
응용 분야
용도δ-Guanido-α-ketovaleric Acid is a useful flavouring ingredient and a component of Cheddar cheese flavour.
공급사13 곳
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
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