기본 정보
- CAS
1333218-50-0- 표준 SMILES
Cc1c(Cl)cc(S(=O)(=O)O)cc1NC(=O)NC[C@H](N)C(=O)O- InChIKey
LHEYGVSDVBEYQF-QMMMGPOBSA-N- 분자식
- C11H14ClN3O6S
- 평균 분자량
- 351.76 g/mol
개요
Upacicalcet is a small molecule drug. The usage of the INN stem '-calcet/-calcet-' in the name indicates that Upacicalcet is a calcium-sensing receptor (CaSR) agonist. Upacicalcet is under investigation in clinical trial NCT05836220 (Parathyroid Hormone (PTH) Attenuation Trial in Hemodialysis-2). Upacicalcet has a monoisotopic molecular weight of 351.03 Da.
이름 및 식별자
- 우선 이름
- Upacicalcet
- IUPAC
- (2S)-2-amino-3-[(3-chloro-2-methyl-5-sulfophenyl)carbamoylamino]propanoic acid
- 영어명
- Upacicalcet
- 분자식
- C11H14ClN3O6S
- 분자량
- 351.76
이름 및 동의어
Upacicalcet1333218-50-05C1222PBE2AJT240PLS240AJT-240PLS-240SK-1403L-Alanine, 3-((((3-chloro-2-methyl-5-sulfophenyl)amino)carbonyl)amino)-(2S)-2-Amino-3-(((3-chloro-2-methyl-5-sulfophenyl)carbamoyl)amino)propanoic acid(2S)-2-amino-3-{[(3-chloro-2-methyl-5-sulfophenyl)carbamoyl]amino}propanoic acidupacicalcetum
이름 더 보기
Upacicalcet NaUtidelone Impurity 36
L-Alanine, 3-[[[(3-chloro-2-methyl-5-sulfophenyl)amino]carbonyl]amino]-RefChem:193151Upacicalcet [INN]upasitaUNII-5C1222PBE2upacicalcet sodium hydrate(2S)-2-amino-3-[(3-chloro-2-methyl-5-sulfophenyl)carbamoylamino]propanoic acid(S)-2-Amino-3-(3-(3-chloro-2-methyl-5-sulfophenyl)ureido)propanoic acid
데이터베이스 식별자
- CAS
1333218-50-0- PubChem CID
- 53374467
- ChEMBL
CHEMBL6068421- UNII
- 5C1222PBE2
물성
구조 계산 물성
- XLogP
- -2.9
- 극성 표면적
- 167 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 522
물리화학적 성질
- 밀도
- 1.643 · 1.643±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.67 · -1.67±0.50(Predicted)
화학 및 산업
공급사16 곳
学研惠（武汉）科技有限公司15727060112 · [email protected]
武汉永璨生物科技有限公司17702719238 · [email protected]
南京奕明医药科技有限公司19850700912; 19850700912 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
东营四方利通新材料有限公司13589435123 17861826421 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Qingdao Minzhi Yijie new material Co., LTD
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