기본 정보
- CAS
1447799-33-8- 표준 SMILES
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)O)C(C)C- InChIKey
VRNHFZYMPDKTBS-WYUJEMNCSA-N- 분자식
- C46H72N10O15S
- 평균 분자량
- 1,037.2 g/mol
- 단동위원소 질량
- 1,036.4899328
개요
Reltecimod is under investigation in clinical trial NCT02469857 (Phase III Efficacy and Safety Study of AB103 in the Treatment of Patients With Necrotizing Soft Tissue Infections).
이름 및 식별자
- 우선 이름
- Reltecimod
- IUPAC
- (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-[[(1R)-1-carboxyethyl]amino]-4-oxobutanoic acid
- 영어명
- Reltecimod
- 분자식
- C46H72N10O15S
- 분자량
- 1037.2
이름 및 동의어
Reltecimod1447799-33-8AB103U00J02UY29D-Alanine, D-alanyl-L-seryl-L-prolyl-L-methionyl-L-leucyl-L-valyl-L-alanyl-L-tyrosyl-L-alpha-aspartyl-D-ALANYL-L-SERYL-L-PROLYL-L-METHIONYL-L-LEUCYL-L-VALYL-L-ALANYL-L-TYROSYL-L-ASPARTYL-D-ALANINEreltecimodump2TA peptideAB103 peptideSPMLVAYDRefChem:930642D-Alanyl-(t-cell-specific surface glycoprotein CD28-(8-15)-peptide)-D-alanine:D-alanyl-L-seryl-L-prolyl-L-methionyl-L-leucyl-L-valyl-L-alanyl-L-tyrosyl-L-alpha-aspartyl-D-alanine immunomodulator
이름 더 보기
P-2TAReltecimod (peptide)D-Alanine, D-alanyl-L-seryl-L-prolyl-L-methionyl-L-leucyl-L-valyl-L-alanyl-L-tyrosyl-L-α-aspartyl-
Reltecimod [INN]Reltecimod [USAN](3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-[[(1R)-1-carboxyethyl]amino]-4-oxobutanoic acid(5S,8S,11S,14S,17S,20S,23R)-5-((S)-1-((S)-2-((R)-2-Aminopropanamido)-3-hydroxypropanoyl)pyrrolidine-2-carboxamido)-20-(carboxymethyl)-17-(4-hydroxybenzyl)-8-isobutyl-11-isopropyl-14,23-dimethyl-6,9,12,15,18,21-hexaoxo-2-thia-7,10,13,16,19,22-hexaazatetracosan-24-oic acidp2TAReltecimod [WHO-DD]Reltecimod (USAN/INN)Reltecimod [USAN:INN]
물성
구조 계산 물성
- XLogP
- -2.7
- 극성 표면적
- 419 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 29
- 무거운 원자 수
- 72
- 형식 전하
- 0
- 복잡도
- 1,920
물리화학적 성질
- 끓는 점
- 1473.8 · 1473.8±65.0 °C(Predicted)
- 밀도
- 1.315 · 1.315±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.26 · 3.26±0.10(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
공급사
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