1-Methyltryptophan

HCID 98112CAS 21339-55-9

기본 정보

표준 SMILES: Cn1cc(CC(N)C(=O)O)c2ccccc21
InChIKey: ZADWXFSZEAPBJS-UHFFFAOYSA-N
분자식: C12H14N2O2
평균 분자량: 218.25 g/mol
단동위원소 질량: 218.10552769

개요

1-methyltryptophan is a tryptophan derivative that is tryptophan carrying a single methyl substituent at position 1 on the indole. It has a role as an antineoplastic agent and an EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor. It is a tryptophan derivative and a non-proteinogenic alpha-amino acid.

이름 및 식별자

우선 이름: 1-Methyltryptophan
IUPAC: 2-amino-3-(1-methylindol-3-yl)propanoic acid
영어명: 1-Methyl-DL-tryptophan
분자식: C12H14N2O2
분자량: 218.25

이름 및 동의어

1-Methyltryptophan2-Amino-3-(1-methyl-1H-indol-3-yl)propanoic acidCHEBI:72821DTXSID40911500RefChem:907713DTXCID7013405351-Methyl-DL-tryptophan26988-72-7(Rac)-Indoximod2-amino-3-(1-methylindol-3-yl)propanoic acidMFCD000058031-methyl-tryptophan

이름 더 보기

Me-L-TrpDL-Trp(1-Me)-OH1-Methyl-DLDL-tryptophan

tryptophan, 1-methyl-DL-1-Methyltryptophan1-MTEINECS 248-157-6dl-1-methyl-tryptophan1-Methyltryptophan, 1ARBRIN,(L)DL-Tryptophan, 1-methyl-

데이터베이스 식별자

CAS: 21339-55-9、26988-72-7
PubChem CID: 98112
DTXSID: DTXSID601314131
ChEMBL: CHEMBL513172
ChEBI: CHEBI:72821
EC Number: 248-157-6

물성

구조 계산 물성

XLogP: -1.3
극성 표면적: 68.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 270

물리화학적 성질

녹는점: 250 °C · 250 °C (dec.)(lit.)
끓는 점: 429.3 · 429.3±35.0 °C(Predicted)
밀도: 1.28 · 1.28±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: Solid
산도 계수 (pKa): 2.26 · 2.26±0.10(Predicted)
색상: White to off-white
InChI: 1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)
InChIKey: ZADWXFSZEAPBJS-UHFFFAOYSA-N
SMILES: Cn1cc(CC(N)C(O)=O)c2ccccc12

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 2933998090
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도1-Methyl-DL-tryptophan, a competitive inhibitor of indoleamine 2,3 dioxygenase-1 (IDO1), has been used to study inflammation-induced depression in mice and syncytial virus induced bronchiolitis.

공급사50 곳

苏州道澜生物医药科技有限公司15952404857 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

추가 설명

정의ChEBI: A tryptophan derivative that is tryptophan carrying a single methyl substituent at position 1 on the indole.

연결된 노트

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