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Orevandrodeg

HCID 166909510
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기본 정보

CAS
2756845-16-4
표준 SMILES
C[C@@H]1CN(CCOC2CCC(N3C(=S)N(c4cnc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)CC2)C[C@H](C)N1CC(=O)Nc1cccc(N[C@H]2CCC(=O)NC2=O)c1
InChIKey
SNTVVSHWBYMLQL-MQFDZLHLSA-N
분자식
C39H48F3N9O5S
평균 분자량
811.9 g/mol
단동위원소 질량
811.34512133

개요

Orevandrodeg is a ligand directed degrader (LDD) composed of an E3 ubiquitin ligase-binding moiety that is conjugated, via a linker, to an as of yet undisclosed moiety that targets a prostate specific tumor-associated antigen (TAA), with potential antineoplastic activity. Upon administration, orevandrodeg specifically and simultaneously targets and binds to the TAA on prostate tumor cells and to E3 ubiquitin ligase, thereby creating a ternary complex. This induces E3 ligase ubiquitination and proteasome-mediated degradation of the TAA. This prevents TAA-mediated signaling and leads to an inhibition of the growth of tumor cells that overexpress the unidentified TAA.

이름 및 식별자

우선 이름
Orevandrodeg
IUPAC
2-[(2S,6R)-4-[2-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxyethyl]-2,6-dimethylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide

이름 및 동의어

OrevandrodegBMS986460BMS-986460Orevandrodeg (USAN)OREVANDRODEG [USAN]2756845-16-4orevandrodeg [INN]T7EWZ7DNR7SCHEMBL24140645SCHEMBL30403668GTPL14632BMS 986460 [WHO-DD]
이름 더 보기
BMT-632526Example 5 [US20250188056]CC2043137CC-2043137D13211(2R,6S)-4-[2-[[trans-4-[3-[6-Cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]cyclohexyl]oxy]ethyl]-N-[3-[[(3S)-2,6-dioxo-3-piperidinyl]amino]phenyl]-2,6-dimethyl-1-piperazineacetamide1-Piperazineacetamide, 4-[2-[[trans-4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]cyclohexyl]oxy]ethyl]-N-[3-[[(3S)-2,6-dioxo-3-piperidinyl]amino]phenyl]-2,6-dimethyl-, (2R,6S)-2-[(2S,6R)-4-[2-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxyethyl]-2,6-dimethylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide

데이터베이스 식별자

CAS
2756845-16-4
PubChem CID
166909510
UNII
T7EWZ7DNR7

물성

구조 계산 물성

XLogP
3.9
극성 표면적
195 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
14
회전 가능 결합 수
11
무거운 원자 수
57
형식 전하
0
복잡도
1,560

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