Products for Research Use Only
RegisterLogin

DB0662

CAT: 0013-GTR19235522-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19235522-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
DB0662 is a kinase-targeted degrader compound for research use. It facilitates the study of diseases driven by aberrant kinase activity and helps identify kinases amenable to degradation. This tool is applicable for both in vitro biochemical assays and in vivo preclinical research models.
CAS Number
2769753-51-5
Smiles
O=C1C=2C (C (=O) N1C3C (=O) NC (=O) CC3) =CC=CC2OCCCN4CCN (CC4) C5=CC=C (NC=6N=C7C (=CN6) CN (C (=O) N7C) C8=CC (NC (=O) C9=CC (C (F) (F) F) =CC=C9) =CC=C8C) C=N5
Molecular Formula
C47H44F3N11O7
Molecular Weight
931.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[3-[7-[[6-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypropyl]piperazin-1-yl]-3-pyridinyl]amino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CAS Number2769753-51-5
PubChem CID165412591
IUPAC NameN-[3-[7-[[6-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypropyl]piperazin-1-yl]-3-pyridinyl]amino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
Molecular FormulaC47H44F3N11O7
Molecular Weight931.9
XLogP4.4
Topological Polar Surface Area203
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Heavy Atom Count68
Formal Charge0
Complexity1870
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)CCCOC7=CC=CC8=C7C(=O)N(C8=O)C9CCC(=O)NC9=O
InChI
InChI=1S/C47H44F3N11O7/c1-27-10-11-31(53-41(63)28-6-3-7-30(22-28)47(48,49)50)23-35(27)60-26-29-24-52-45(56-40(29)57(2)46(60)67)54-32-12-14-37(51-25-32)59-19-17-58(18-20-59)16-5-21-68-36-9-4-8-33-39(36)44(66)61(43(33)65)34-13-15-38(62)55-42(34)64/h3-4,6-12,14,22-25,34H,5,13,15-21,26H2,1-2H3,(H,53,63)(H,52,54,56)(H,55,62,64)
InChIKey
PAYXBIAZSMSRHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-[7-[[6-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypropyl]piperazin-1-yl]-3-pyridinyl]amino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CAS: 2769753-51-5
CID: 165412591
Formula: C47H44F3N11O7
MW: 931.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight931.9
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Exact Mass931.33772727
Monoisotopic Mass931.33772727
Topological Polar Surface Area203 Ų
Heavy Atom Count68
Formal Charge0
Complexity1870
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19221064-01DB0614

Alternative Products

CatalogName
T86164-01DB0662

Popular Products