Products for Research Use Only
RegisterLogin

HDAC1/CDK7-IN-1

CAT: 0804-HY-156444Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-156444Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
HDAC1/CDK7-IN-1 (compound 8e) is a dual CDK7 and HDAC1 inhibitor with IC50s of 893 nM and 248 nM, respectively. HDAC1/CDK7-IN-1 inhibits the growth cells of MDA-MB-231, MCF-7, A549, and HCT-116 cancer cells. HDAC1/CDK7-IN-1 induces cell cycle arrest and apoptosis in HCT-116 cells, as well as hindered the migration of HCT-116 cells[1].
CAS Number
2987905-95-1
UNSPSC
12352005
Target
Apoptosis; CDK; HDAC
Type
Reference compound
Related Pathways
Apoptosis; Cell Cycle/DNA Damage; Epigenetics
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/hdac1-cdk7-in-1.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC(NC(CCCCCCC(NO)=O)=O)=CC=C1)NC2=CC(NC3=NC(C4=CNC5=C4C=CC=C5)=C(Cl)C=N3)=CC=C2
Molecular Formula
C33H32ClN7O4
Molecular Weight
626.10
References & Citations
[1]Yao Chen, et al. Discovery of a Dual-Target Inhibitor of CDK7 and HDAC1 That Induces Apoptosis and Inhibits Migration in Colorectal Cancer. ChemMedChem. 2023 Oct 11:e202300281.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CDK7; HDAC1

Chemical Information

Hdac1/cdk7-IN-1
CAS Number2987905-95-1
PubChem CID169450741
IUPAC NameN-[3-[[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]carbamoyl]phenyl]-N'-hydroxyoctanediamide
Molecular FormulaC33H32ClN7O4
Molecular Weight626.1
XLogP5
Topological Polar Surface Area161
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Heavy Atom Count45
Formal Charge0
Complexity975
SMILES
C1=CC=C2C(=C1)C(=CN2)C3=NC(=NC=C3Cl)NC4=CC(=CC=C4)NC(=O)C5=CC(=CC=C5)NC(=O)CCCCCCC(=O)NO
InChI
InChI=1S/C33H32ClN7O4/c34-27-20-36-33(40-31(27)26-19-35-28-14-6-5-13-25(26)28)39-24-12-8-11-23(18-24)38-32(44)21-9-7-10-22(17-21)37-29(42)15-3-1-2-4-16-30(43)41-45/h5-14,17-20,35,45H,1-4,15-16H2,(H,37,42)(H,38,44)(H,41,43)(H,36,39,40)
InChIKey
RVCYQLGPRQTUAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hdac1/cdk7-IN-1
CAS: 2987905-95-1
CID: 169450741
Formula: C33H32ClN7O4
MW: 626.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight626.1
XLogP35
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Exact Mass625.2204302
Monoisotopic Mass625.2204302
Topological Polar Surface Area161 Ų
Heavy Atom Count45
Formal Charge0
Complexity975
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

Related Products

CatalogName
HY-172891CDK9/HDAC1/HDAC3-IN-1
HY-143497HDAC1/2 and CDK2-IN-1
HY-101257ACDK7-IN-1
HY-145408CDK7/9-IN-1
HY-46568-01CDK7/12-IN-1
HY-161829CDK7 ligand 1
HY-144725HDAC1/6-IN-1
HY-149630VEGFR2/HDAC1-IN-1
HY-157216HDAC1 Degrader-1
HY-145845HDAC1/MAO-B-IN-1

Alternative Products

CatalogName
T82227-01HDAC1/CDK7-IN-1
HDD20302-01CDK7-IN-1
MBS5800614CDK7/9-IN-1
GTR19262752-01CDK7 ligand 1
T62926CDK7/12-IN-1
sc-56284Cdk7 (MO-1)
T207925-01HDAC1 Degrader-1
T50084-01HDAC1/5-IN-1
T80873-01VEGFR2/HDAC1-IN-1
GTR19272845-01HDAC1/3-IN-1

Popular Products