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Chemical structure of DB1113

GC68942

DB1113

Also known as (2S,4R)-1-[(2S)-3,3-dimethyl-2-[5-[4-[5-[[1-methyl-3-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-2-pyridinyl]piperazin-1-yl]pentanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

DB1113 (Example 24) is a bifunctional compound that targets protein kinase degradation· DB1113 can degrade ABL1, ABL2, BLK, CDK11B, CDK4, CSK, EPHA3, FER, GAK, LIMK1, MAP3K20, MAP4K1 , MAP4K2,MAP4K3,MAP4K5,MAPK14,MAPK7,MAP K8,MAP K9,MAP KAP K2,MAP KAP K3,NL K ,PDI K1L ,PT K2B ,RIP K1 ,RPS6KA1 ,RPS6KA3 ,SIk2、SIk3、ST k35、TN k2 and UL k1· DB1113 can be used to study diseases or disorders mediated by abnormal kinase activity

ChemicalCAS2769753-53-7MW1144.31FormulaC59H68F3N13O6S
CAS number
2769753-53-7
Molecular weight
1144.31
Formula
C59H68F3N13O6S
Solubility
DMSO ： 60 mg/mL (52·43 mM; Need ultrasonic)
InChIKey
BTJSSCWASCIGSE-OWEXABFXSA-N
Catalogue number
GC68942
Brand
GLPBIO
Computed properties PubChem CID 165412588 · XLogP 7.3 · TPSA 250 Ų · H-bond donors 5
XLogP
7.3
TPSA
250 Ų
H-bond donors
5
H-bond acceptors
17
Rotatable bonds
18
Heavy atoms
82

SMILES CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)N3CC4=CN=C(N=C4N(C3=O)C)NC5=CN=C(C=C5)N6CCN(CC6)CCCCC(=O)N[C@H](C(=O)N7C[C@@H](C[C@H]7C(=O)N[C@@H](C)C8=CC=C(C=C8)C9=C(N=CS9)C)O)C(C)(C)C

Computed descriptors from PubChem (CID 165412588), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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