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N-(4-(((2,4-Diamino-6-pteridinyl)methyl)amino)benzoyl)glutamic acid

HCID 2154
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
1236566-87-2
표준 SMILES
Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1
InChIKey
TVZGACDUOSZQKY-UHFFFAOYSA-N
분자식
C19H20N8O5
평균 분자량
440.4 g/mol
단동위원소 질량
440.15566577

개요

Aminopterin Syndrome Sine Aminopterin (ASSA, OMIM 600325) is an embryopathy caused by maternal treatment with the olic acid antagonist aminopterin has been recognized since 1952 when aminopterin was used as an abortifacient. The characteristic phenotype of the children who survived infancy after having been exposed to aminopterin or its methyl derivative, methotrexate, in early pregnancy included a very unusual facies, skull anomalies, and skeletal defects.(OMIM). Aminopterin is an antimetabolite drug used in treatment of cancer and autoimmune diseases. It acts by inhibiting the metabolism of folic acid. - Wikipedia. The effects of the drug on intracellular metabolic processes, due to the inhibitory action on the enzyme dihydrofolate reductase, show that the result of this inhibition is more complex and is not limited to blockade of the reduction of folic acid alone. Although rescue methods are important in prevention of lethal effects of methotrexate, some metabolic pathways are insufficiently rescued, resulting in toxic reactions following methotrexate administration. (A7894)

이름 및 식별자

우선 이름
N-(4-(((2,4-Diamino-6-pteridinyl)methyl)amino)benzoyl)glutamic acid
IUPAC
2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
영어명
N-[4-[[(2,4-DiaMino-6-pteridinyl)Methyl]aMino]benzoyl]glutaMic Acid
분자식
C19H20N8O5
분자량
440.41

이름 및 동의어

1236566-87-2N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]amino]benzoyl]glutamic acidDTXSID10858993N-(4-(((2,4-Diamino-6-pteridinyl)methyl)amino)benzoyl)glutamic acidRefChem:1091200DTXCID702091844-Aminofolic acid; APGA2-(4-((2,4-DIAMINOPTERIDIN-6-YL)METHYLAMINO)-BENZAMIDO)PENTANEDIOIC ACIDC19H20N8O5N-[(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}phenyl)carbonyl]glutamic acidL-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-4-Aminopteroyl-glutamic acid
이름 더 보기
Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-
Aminofolic acid, 4-SR-010000756364-Aminofolate4-Aminopteroyl-<R>glutamic acidNCGC00015038-03143873-72-72-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid4-Aminopteroylglutamate

데이터베이스 식별자

CAS

물성

구조 계산 물성

XLogP
-2
극성 표면적
219 Ų
수소 결합 공여자 수
6
수소 결합 수용자 수
12
회전 가능 결합 수
9
무거운 원자 수
32
형식 전하
0
복잡도
674

실험 및 물리화학적 성질

Physical DescriptionSolid

물리화학적 성질

저장 조건
Refrigerator
용해도
메탄올에 용해됨
물리적 상태
고체
색상
노란색

안전 및 규제

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

독성 정보

Toxicity Summary · 1건

Aminopterin is an amino derivative of folic acid which binds competitively to the dihydrofolate reductase enzyme to block tetrahydrofolate synthesis. Tetrahydrofolate is essential in the production of purines and pyrimadines, thus it's deficiency results in a reduction of DNA, RNA and protein synthesis.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

화학 및 산업

약리 정보

Tissue LocationsAdipose Tissue
Cellular LocationsCytoplasm

용도 및 제조

Uses · 1건

Aminopterin Syndrome Sine Aminopterin (ASSA, OMIM 600325) is an embryopathy caused by maternal treatment with the olic acid antagonist aminopterin has been recognized since 1952 when aminopterin was used as an abortifacient. Aminopterin is an antimetabolite drug used in treatment of cancer and autoimmune diseases.

응용 분야

용도N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]amino]benzoyl]glutamic Acid is an intermediate in the synthesis of Methotrexate (M260675), a folic acid antagonist, used as a antineoplastic and antirheumatic.

공급사7 곳

BOC Sciences1-631-485-4226; 16314854226 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
1236566-87-2、54-62-6
PubChem CID
2154
DTXSID
DTXSID10858993
Nikkaji
J1.107.429D
北京百灵威科技有限公司
18210857532 18210857532 · [email protected]