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Inobrodib (CCS-1477)

CAT: 0957-S9667-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-S9667-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2222941-37-7
Synonyms
CBP-IN-1, CBP/p300-IN-4
Target
Epigenetic Reader Domain
Applications
Epigenetics
Smiles
CC1=C (C (=NO1) C) C2=CC3=C (C=C2) N (C (=N3) C4CCCC (=O) N4C5=CC (=C (C=C5) F) F) C6CCC (CC6) OC
Molecular Formula
C30H32F2N4O3
Additionnal Information
Inobrodib (CCS1477; CBP-IN-1; CBP/p300-IN-4) is a potent and selective inhibitor of p300/CBP bromodomain. CCS1477 works by inhibiting the expression and function of the androgen receptor (AR), as well as inhibiting c-Myc.
Storage Conditions
3 years -20°C powder

Chemical Information

(6S)-1-(3,4-difluorophenyl)-6-(5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl)piperidin-2-one

See also: Inobrodib (annotation moved to) ... View More ...

CAS Number2222941-37-7
PubChem CID134457551
IUPAC Name(6S)-1-(3,4-difluorophenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one
Molecular FormulaC30H32F2N4O3
Molecular Weight534.6
XLogP4.9
Topological Polar Surface Area73.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count39
Formal Charge0
Complexity860
SMILES
CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)[C@@H]4CCCC(=O)N4C5=CC(=C(C=C5)F)F)C6CCC(CC6)OC
InChI
InChI=1S/C30H32F2N4O3/c1-17-29(18(2)39-34-17)19-7-14-26-25(15-19)33-30(36(26)20-8-11-22(38-3)12-9-20)27-5-4-6-28(37)35(27)21-10-13-23(31)24(32)16-21/h7,10,13-16,20,22,27H,4-6,8-9,11-12H2,1-3H3/t20?,22?,27-/m0/s1
InChIKey
SKDNDJWEBPQKCS-RIQBOWGZSA-N
Chemical Structure
2D Structure
2D structure of (6S)-1-(3,4-difluorophenyl)-6-(5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl)piperidin-2-one
CAS: 2222941-37-7
CID: 134457551
Formula: C30H32F2N4O3
MW: 534.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight534.6
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass534.24424722
Monoisotopic Mass534.24424722
Topological Polar Surface Area73.4 Ų
Heavy Atom Count39
Formal Charge0
Complexity860
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
C14399-25mgInobrodib (CCS-1477)
A20036-2Inobrodib (CCS-1477, CBP-IN-1) 2mg
A20036-5Inobrodib (CCS-1477, CBP-IN-1) 5mg
A20036-25Inobrodib (CCS-1477, CBP-IN-1) 25mg
A20036-1Inobrodib (CCS-1477, CBP-IN-1) 1mg
A20036-100Inobrodib (CCS-1477, CBP-IN-1) 100mg
A20036-50Inobrodib (CCS-1477, CBP-IN-1) 50mg
A20036-10Inobrodib (CCS-1477, CBP-IN-1) 10mg
A20036-10mM-DInobrodib (CCS-1477, CBP-IN-1) 10mM * 1mL in DMSO
MBS133554CCS-1477

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