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CXD101

CAT: 0931-T5347-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T5347-03Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
934828-12-3
Target
HDAC
Related Pathways
DNA Damage/DNA Repair, Chromatin/Epigenetic
Purity
0.9982
Bioactivity
CXD101 is a novel class I-selective HDACi (HDAC1 (IC50 : 63nM), HDAC2 (IC50 :570nM), HDAC3 (IC50 :550nM) ) . CXD101 (CXD-101) has no activity against HDAC class II
Smiles
Cc1nn(C)cc1CN1CCC(CC1)c1ccc(cc1)C(=O)Nc1ccccc1N
Molecular Formula
C24H29N5O
Molecular Weight
403.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cxd-101

CXD101 is under investigation in clinical trial NCT03873025 (A Study of CXD101 in Combination With Pembrolizumab for Relapsed or Refractory Diffuse Large B-cell Lymphoma).

CAS Number934828-12-3
PubChem CID16225380
IUPAC NameN-(2-aminophenyl)-4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]benzamide
Molecular FormulaC24H29N5O
Molecular Weight403.5
XLogP2.9
Topological Polar Surface Area76.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity556
SMILES
CC1=NN(C=C1CN2CCC(CC2)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)C
InChI
InChI=1S/C24H29N5O/c1-17-21(15-28(2)27-17)16-29-13-11-19(12-14-29)18-7-9-20(10-8-18)24(30)26-23-6-4-3-5-22(23)25/h3-10,15,19H,11-14,16,25H2,1-2H3,(H,26,30)
InChIKey
JHDZMASHNBKTPS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cxd-101
CAS: 934828-12-3
CID: 16225380
Formula: C24H29N5O
MW: 403.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.5
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass403.23721057
Monoisotopic Mass403.23721057
Topological Polar Surface Area76.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity556
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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