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Corin

CAT: 0804-HY-111048-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-111048-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Corin is a dual inhibitor of histone lysine specific demethylase (LSD1) and histone deacetylase (HDAC), with a Ki (inact) of 110 nM for LSD1 and an IC50 of 147 nM for HDAC1.
CAS Number
1808113-09-8
UNSPSC
12352005
Target
HDAC; Histone Demethylase
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/Corin.html
Purity
98.55
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(NC1=CC=C([C@H]2[C@H](N)C2)C=C1)CCCC3=CC=C(C(NC4=CC=CC=C4N)=O)C=C3
Molecular Formula
C26H28N4O2
Molecular Weight
428.53
References & Citations
[1]Kalin JH, et al. Targeting the CoREST complex with dual histone deacetylase and demethylase inhibitors. Nat Commun. 2018 Jan 4;9 (1) :53.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
KDM1/LSD1

Chemical Information

Corin

Corin is a dual inhibitor of histone lysine specific demethylase (LSD1) and histone deacetylase (HDAC), with a Ki(inact) of 110 nM for LSD1 and an IC50 of 147 nM for HDAC1.

CAS Number1808113-09-8
PubChem CID134828251
IUPAC Name4-[4-[4-[(1S,2R)-2-aminocyclopropyl]anilino]-4-oxobutyl]-N-(2-aminophenyl)benzamide
Molecular FormulaC26H28N4O2
Molecular Weight428.5
XLogP2.8
Topological Polar Surface Area110
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity625
SMILES
C1[C@H]([C@@H]1N)C2=CC=C(C=C2)NC(=O)CCCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N
InChI
InChI=1S/C26H28N4O2/c27-22-5-1-2-6-24(22)30-26(32)19-10-8-17(9-11-19)4-3-7-25(31)29-20-14-12-18(13-15-20)21-16-23(21)28/h1-2,5-6,8-15,21,23H,3-4,7,16,27-28H2,(H,29,31)(H,30,32)/t21-,23+/m0/s1
InChIKey
TYTLARZOLKJSJU-JTHBVZDNSA-N
Chemical Structure
2D Structure
2D structure of Corin
CAS: 1808113-09-8
CID: 134828251
Formula: C26H28N4O2
MW: 428.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.5
XLogP32.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass428.22122615
Monoisotopic Mass428.22122615
Topological Polar Surface Area110 Ų
Heavy Atom Count32
Formal Charge0
Complexity625
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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