기본 정보
- CAS
88373-73-3- 표준 SMILES
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(=O)O- InChIKey
MCMMCRYPQBNCPH-WMIMKTLMSA-N- 분자식
- C30H39N5O7S2
- 평균 분자량
- 645.8 g/mol
- 단동위원소 질량
- 645.22909095
개요
DPDPE is a heterodetic cyclic peptide that is a cyclic enkephalin analogue, having D-penicillaminyl residues located at positions 2 and 5, which form the heterocycle via a disulfide bond. It has a role as a delta-opioid receptor agonist.
이름 및 식별자
- 우선 이름
- Dpdpe
- IUPAC
- (4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
- 영어명
- DPDPE
- 분자식
- C30H39N5O7S2
- 분자량
- 645.79
이름 및 동의어
DPDPE88373-73-3(D-Pen2,D-Pen5)-Enkephalin2,5-Pen-enkephalinDPLPEBis Pen EnkephalinDpdpe(SH)2Enkephalin, D-penicillamine (2,5)-D-penicillamine-(2,5)-enkephalin(4s,7s,13s)-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-13-(l-tyrosylamino)-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acidEnkephalin, penicillamine(2,5)-DTXSID201008102
이름 더 보기
enkephalinCyclic DPDPEEnkephalin USP/EP/BPY-(D-PEN)-G-F-(D-PEN)[D-PEN2,5]-ENKEPHALINTYR-D-PEN-GLY-PHE-D-PENM.W. 645.79 C30H39N5O7S2H-TYR-D-PEN-GLY-PHE-D-PEN-OH
D-Penicillamine (2,5)-EnkephalinHB4QD9GL6FCHEBI:73356L-tyrosyl-3-mercapto-D-valylglycyl-L-phenylalanyl-3-mercapto-D-valine, cyclic (2-5)-disulfideBis Penicillamine EnkephalinD-Pen5-Enkephalin D-Pen2L-Pen5-Enkephalin D-Pen2D Pen2, D Pen5 Enkephalin
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- -0.6
- 극성 표면적
- 251 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,040
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 끓는 점
- 1038.6 · 1038.6±65.0 °C(predicted)
- 밀도
- 1.38 · 1.38±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
- 저장 조건
- 20 °C · −20°C
- 용해도
- 10 · Water:10.0(Max Conc. mg/mL);0.15(Max Conc. mM)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 2.97 · 2.97±0.70(predicted)
- 색상
- White to off-white
- 수용성
- 1 mg/ml · Soluble to 1 mg/ml in water
- InChIKey
- MCMMCRYPQBNCPH-WMIMKTLMSA-N
- SMILES
- S1SC([C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C1(C)C)C(=O)O)Cc3ccccc3)NC(=O)[C@@H](N)Cc2ccc(cc2)O)(C)C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Compounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS.
Substances used for their pharmacological actions on any aspect of neurotransmitter systems. Neurotransmitter agents include agonists, antagonists, degradation inhibitors, uptake inhibitors, depleters, precursors, and modulators of receptor function.
응용 분야
용도[D-Pen2,5]-Enkephalin hydrate (DPDPE) has been used to study the pharmacodynamic and pharmacokinetic capabilities of polyethylene glycol (PEG) conjugate of DPDPE in rodents. It has been used to study the tendency of opiate self-administration in male Long-Evans rats, in ventral tegmental area (VTA).
일반 설명[D-Pen2,5]-Enkephalin hydrate, also called DPDPE, is a peptide and acts as a δ1-opioid receptor agonist. Opioid receptors are divided into three types called, μ, κ and δ, depending upon their ligands. These ligands are peptides and are classified as enkephalins, endorphins and dynorphins.
공급사47 곳
中国同辐股份有限公司15210618618 · [email protected]
南京昱盛康生物科技有限公司13327808530 · [email protected]
浙江华军药业有限公司0571-17315361885 17315361885 · [email protected]
上海鸿肽生物科技有限公司15318089928 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
中科华药(江苏)生物科技有限公司18020125070 · [email protected]
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