기본 정보
- CAS
487-90-1- 표준 SMILES
NCc1[nH]cc(CCC(=O)O)c1CC(=O)O- InChIKey
QSHWIQZFGQKFMA-UHFFFAOYSA-N- 분자식
- C10H14N2O4
- 평균 분자량
- 226.23 g/mol
- 단동위원소 질량
- 226.09535693
개요
Porphobilinogen is a dicarboxylic acid that is pyrole bearing aminomethyl, carboxymethyl and 2-carboxyethyl substituents at positions 2, 3 and 4 respectively. It has a role as a metabolite, a mouse metabolite and an Escherichia coli metabolite. It is a member of pyrroles, a dicarboxylic acid and an aralkylamino compound. It is a conjugate acid of a porphobilinogen(1-).
이름 및 식별자
- 우선 이름
- Porphobilinogen
- IUPAC
- 3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid
- 현지명
- 포르포빌리노겐
- 영어명
- PORPHOBILINOGEN
- 분자식
- C10H14N2O4
- 분자량
- 226.23
이름 및 동의어
porphobilinogen487-90-13-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROL-3-YL]PROPANOIC ACID3-(5-(Aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl)propanoic acid1H-Pyrrole-3-propanoic acid, 5-(aminomethyl)-4-(carboxymethyl)-5-(Aminomethyl)-4-(carboxymethyl)-1H-pyrrole-3-propionic acid74KHC72QXKDTXSID4060070CHEBI:17381RefChem:175301DTXCID3040641207-666-3
이름 더 보기
포르포빌리노겐porphobilinogen (synth.)5-(Aminomethyl)-4-(carboxymethyl)pyrrole-3-propionic acid5-(aminomethyl)-4-(carboxymethyl)-1h-pyrrole-3-propanoicaci5-[AMINOMETHYL]-4-[CARBOXYMETHYL]-1H-PYRROLE-3-PROPANOIC ACID3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propionic acid
5-(Aminomethyl)-4-(carboxymethyl)-1H-pyrrole-3-propanoic acid2-aminomethylpyrrol-3-acetic acid 4-propionic acidPorphobilinogen, powderPBG5-(aminomethyl)-4-(carboxymethyl)-pyrrole-3-propionic acidCHEMBL1235151Aminolevulinic Acid Hydrochloride Impurity 175-(aminomethyl)-4-(carboxymethyl)-Pyrrole-3-propionate
데이터베이스 식별자
- CAS
487-90-1- PubChem CID
- 1021
- DTXSID
DTXSID4060070- ChEMBL
CHEMBL1235151- ChEBI
CHEBI:17381- UNII
- 74KHC72QXK
- EC Number
- 207-666-3
- Nikkaji
- J6.026G
물성
구조 계산 물성
- XLogP
- -3.5
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 270
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physical DescriptionSolid
Collision Cross Section148.1 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
물리화학적 성질
- 녹는점
- 174 · 174-177℃
- 끓는 점
- 479 ℃ · 479℃
- 밀도
- 1.421 · 1.421
- 인화점
- 243 ℃ · 243℃
- 저장 조건
- -20 °C · -20°C
- 용해도
- 알칼리성 용액(약간), 아세토니트릴(약간), DMSO(약간) 에 용해됨
- 산도 계수 (pKa)
- 4.22 · 4.22±0.10(Predicted)
- 물리적 상태
- 가루
- 색상
- 연한 노란색에서 분홍색까지
- Merck
- 13 · 13,7681
- BRN
- 220051 · 220051
- InChI
- 1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16)
- InChIKey
- QSHWIQZFGQKFMA-UHFFFAOYSA-N
- SMILES
- NCc1[nH]cc(CCC(O)=O)c1CC(O)=O
- EPA
- Porphobilinogen (487-90-1)
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 39 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
Health EffectsChronically high levels of porophyrins are associated with porphyrias such as Porphyria variegate, Acute Intermittent Porphyria and Hereditary Coproporphyria (HCP).
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- F 고인화성물질
- 8-10
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Tissue LocationsErythrocyte
Cellular LocationsCytoplasm
Metabolite PathwaysAcute Intermittent Porphyria
용도 및 제조
UsesThis is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
General Manufacturing Information1H-Pyrrole-3-propanoic acid, 5-(aminomethyl)-4-(carboxymethyl)-: INACTIVE
응용 분야
용도An intermediate in the biosynthesis of Heme, found in the urine of patients with acute porphyria.
공급사25 곳
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上海一研生物科技有限公司021-69985186 13611928337 · [email protected]
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Chengdu Aslee Biopharmaceuticals, Inc.28-85305008
凌源贝卞森生物科技有限公司18642120371 · [email protected]
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