Pan-RAS-IN-7 | CAS 2642135-72-4 | AnyMole

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HIT218929709

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HIT218929709

HIT ID:HIT218929709
Cas No:2642135-72-4
常用名:Pan-RAS-IN-7
IUPAC:N-{22-ethyl-4-hydroxy-21-[2-(1-methoxyethyl)-5-(4-methylpiperazin-1-yl)pyridin-3-yl]-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1^{2,6}.1^{10,14}.0^{23,27}]nonacosa-1(25),2,4,6(29),20,23,26-heptaen-8-yl}-3-methyl-2-[N-methyl-1-(3-phenyloxolan-2-yl)formamido]butanamide
IUPAC:N-{22-ethyl-4-hydroxy-21-[2-(1-methoxyethyl)-5-(4-methylpiperazin-1-yl)pyridin-3-yl]-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1^{2,6}.1^{10,14}.0^{23,27}]nonacosa-1(25),2,4,6(29),20,23,26-heptaen-8-yl}-3-methyl-2-[N-methyl-1-(3-phenyloxolan-2-yl)formamido]butanamide
InChI key:GFNDELQKEXXURO-UHFFFAOYSA-N

分子式:C59H76N8O8
分子量:1025.305
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCn1c(c2CC(C)(C)COC(=O)C3CCCN(N3)C(=O)C(Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)C(C(C)C)N(C)C(=O)C1OCCC1c1ccccc1)-c1cc(cnc1C(C)OC)N1CCN(C)CC1
SMILES:CCn1c(c2CC(C)(C)COC(=O)C3CCCN(N3)C(=O)C(Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)C(C(C)C)N(C)C(=O)C1OCCC1c1ccccc1)-c1cc(cnc1C(C)OC)N1CCN(C)CC1

Pan-RAS-IN-7 (Compound D101) 作为一种广谱RAS抑制剂，常被运用于抗体药物偶联物 (ADCs) 的生产中。该化合物同时也是癌症研究领域的重要工具。

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