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아그마틴황산염내인성작용제

Agmatine

HCID 199
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
306-60-5
표준 SMILES
NCCCCN=C(N)N
InChIKey
QYPPJABKJHAVHS-UHFFFAOYSA-N
분자식
C5H14N4
평균 분자량
130.19 g/mol
단동위원소 질량
130.12184646

개요

Agmatine is a member of guanidines and a primary amino compound. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a conjugate base of an agmatinium(2+).

이름 및 식별자

우선 이름
Agmatine
IUPAC
2-(4-aminobutyl)guanidine
현지명
아그마틴황산염내인성작용제
영어명
AGMATINE SULFATE ENDOGENOUS AGONIST AT
분자식
C5H14N4
분자량
130.19

이름 및 동의어

agmatine1-(4-Aminobutyl)guanidine306-60-5(4-Aminobutyl)guanidineN-(4-aminobutyl)guanidine1-Amino-4-guanidobutaneguanidine, (4-aminobutyl)-2-(4-aminobutyl)guanidine(4-Aminobutyl) guanidine70J407ZL5QNSC-563321-Amino-4-guanidinobutane
이름 더 보기
아그마틴황산염내인성작용제ARGAMINENSC 56332Agmatine (6CI)Agmatine Free Base4-Guanidino-1-butanamine
DTXSID0040961CHEBI:17431RefChem:1101741 Amino 4 guanidinobutaneDTXCID8020961206-187-7ArgmatineN-4-Aminobutylguanidine

데이터베이스 식별자

CAS
306-60-5
PubChem CID
199
DTXSID
DTXSID0040961
ChEMBL
CHEMBL58343
ChEBI
CHEBI:17431
UNII
70J407ZL5Q
EC Number
206-187-7
Nikkaji
J11.608D

물성

구조 계산 물성

XLogP
-1.5
극성 표면적
90.4 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
2
회전 가능 결합 수
4
무거운 원자 수
9
형식 전하
0
복잡도
85

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
Melting Point234-238 degress Celcius
Physical DescriptionSolid
Collision Cross Section · 4건

128.2 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

130.46 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

129.96 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]

128.5 Ų [M+H]+

물리화학적 성질

끓는 점
235 ℃ · 235℃
밀도
1.2 · 1.20
인화점
96 ℃ · 96℃
용해도
Water (easy), ethanol (soluble), ether (insoluble)
산도 계수 (pKa)
13.78 · 13.78±0.70(Predicted)
LogP
-1.55 · -1.550 (est)
EPA
(4-Aminobutyl)guanidine (306-60-5)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 데이터

기존화학 물질
KE-01227

화학 및 산업

약리 정보

Pharmacodynamics · 1건

Agmatine has several physiological effects. Its cardiovascular effects include mildly reducing heart rate and blood pressure. Also it promotes a mild hypoglycemic state, reduces cellular oxidative stress, and enhances glomerular filtration rate.

Mechanism of Action · 1건

The exact mechanism of action is still being investigated for all of the potential indications of agmatine. Some of the biochemical mechanisms discovered so far concern agmatine's indication for diabetes, neuroprotection, and psychiatric conditions. In diabetes, agmatine produces hypoglycemia by increasing the release of insulin form pancreatic islet cells and increasing glucose uptake by the cells through increased endorphin release from the adrenal glands. Concerning neuroprotection, agmatine's effects are thought to involve modulation of receptors (NMDA, alpha 2, and imidazoline) and ion channels (ATP sensitive potassium channels and voltage-gated calcium channels) as well as blocking nitric oxide synthesis. Agmatine blocks nitric oxide synthesis by reducing the nitric oxide synthase -2 (NOS-2) protein in astroglial cells and macrophages. With respect to agmatine's benefit in psychiatric disorders, it is suggested that the mechanism involves neurotransmitter receptor modulation of the NMDA, alpha-2, serotonin, opioid, and imidazoline receptors. Specifically when agmatine binds to the imidazoline and alpha 2 receptors, it acts as a neurotransmitter and releases catecholamines from the adrenal gland.

Tissue LocationsBrain
Cellular LocationsMitochondria

공급사34 곳

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
Aladdin Scientific[email protected]

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