LC-2 - ≥98% , CAS No.2502156-03-6

CAS: 2502156-03-6 Cat. No.: L413701 Peso molecular: 1132.78 PubChem CID: 154727765

GRADE & PURITY ≥98%

Synonyms

LC2 | LC 2 | PROTAC KRASG12C Degrader-LC-2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

PROTAC

Descripción general

Information

LC-2 is an effective first-class PROTAC capable of degrading endogenous KRAS G12C, with DC50s between 0.25 and 0.76 μM. LC-2 covalently binds KRAS G12C with a MRTX849 warhead and recruits the E3 ligase VHL, inducing rapid and sustained KRAS G12C degradation leading to suppression of MAPK signaling in both homozygous and heterozygous KRAS G12C cell lines.

Specifications

Sinónimos

LC2 | LC 2 | PROTAC KRASG12C Degrader-LC-2

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

LC-2 is an effective first-class PROTAC capable of degrading endogenous KRAS G12C, with DC50s between 0.25 and 0.76 μM. LC-2 covalently binds KRAS G12C with a MRTX849 warhead and recruits the E3 ligase VHL, inducing rapid and sustained KRAS G12C degradati

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCOCCCN4CCCC4COC5=NC6=C(CCN(C6)C7=CC=CC8=C7C(=CC=C8)Cl)C(=N5)N9CCN(C(C9)CC#N)C(=O)C(=C)F)O
• IUPAC Name: (2S,4R)-1-[(2S)-2-[3-[3-[(2S)-2-[[7-(8-chloronaphthalen-1-yl)-4-[(3S)-3-(cyanomethyl)-4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]propoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
• InChIKey: ZCGQZLKPUVGCBQ-HLMPTVQRSA-N
• INCHI: 1S/C59H71ClFN11O7S/c1-37(61)56(76)71-27-26-70(32-42(71)19-22-62)54-45-20-25-69(48-14-7-11-40-10-6-13-46(60)51(40)48)34-47(45)65-58(67-54)79-35-43-12-8-23-68(43)24-9-28-78-29-21-50(74)66-53(59(3,4)5)57(77)72-33-44(73)30-49(72)55(75)63-31-39-15-17-41(18-16-39)52-38(2)64-36-80-52/h6-7,10-11,13-18,36,42-44,49,53,73H,1,8-9,12,19-21,23-35H2,2-5H3,(H,63,75)(H,66,74)/t42-,43-,44+,49-,53+/m0/s1
• Isómeros SMILES: CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCOCCCN4CCC[C@H]4COC5=NC6=C(CCN(C6)C7=CC=CC8=C7C(=CC=C8)Cl)C(=N5)N9CCN([C@H](C9)CC#N)C(=O)C(=C)F)O
• PubChem CID: 154727765
• Peso molecular: 1132.78

Objetivos asociados (humanos)

KRAS Tclin GTPase KRas (1864 Activities)

Discover Target: KRAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 1132.800 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 21
• Exact Mass: 1131.49 Da
• Monoisotopic Mass: 1131.49 Da
• Topological Polar Surface Area: 238.000 Ų
• Heavy Atom Count: 80
• Formal Charge: 0
• Complexity: 2170.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1