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T-3775440 HCl

CAT: 1568-C13417-2mgSize: 2 mgDry Ice: NoHazardous: No
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CAT#:1568-C13417-2mgSize:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1422535-52-1
Target
Histone Demethylase
Applications
Epigenetics
Smiles
CN1C=C (C=N1) C (=O) NC2=CC=C (C=C2) C3CC3NCC4CC4.Cl
Molecular Formula
C18H23ClN4O
Additionnal Information
T-3775440 HCl is an irreversible LSD1 inhibitor that is highly selective for LSD1 relative to other monoamine oxidases (e.g., MAO-A and MAO-B), with an IC50 value of 2.1 nmol/L.
Storage Conditions
3 years -20°C powder

Chemical Information

T-3775440 hydrochloride
CAS Number1422535-52-1
PubChem CID86729932
IUPAC NameN-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-methylpyrazole-4-carboxamide;hydrochloride
Molecular FormulaC18H23ClN4O
Molecular Weight346.9
Topological Polar Surface Area59
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity431
SMILES
CN1C=C(C=N1)C(=O)NC2=CC=C(C=C2)[C@@H]3C[C@H]3NCC4CC4.Cl
InChI
InChI=1S/C18H22N4O.ClH/c1-22-11-14(10-20-22)18(23)21-15-6-4-13(5-7-15)16-8-17(16)19-9-12-2-3-12;/h4-7,10-12,16-17,19H,2-3,8-9H2,1H3,(H,21,23);1H/t16-,17+;/m0./s1
InChIKey
XYFPAGOQZFSLFH-MCJVGQIASA-N
Chemical Structure
2D Structure
2D structure of T-3775440 hydrochloride
CAS: 1422535-52-1
CID: 86729932
Formula: C18H23ClN4O
MW: 346.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass346.1560391
Monoisotopic Mass346.1560391
Topological Polar Surface Area59 Ų
Heavy Atom Count24
Formal Charge0
Complexity431
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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