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DDP-38003 dihydrochloride

CAT: 0013-GTR19206081-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206081-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DDP-38003 dihydrochloride is a potent and orally bioavailable inhibitor of the histone demethylase KDM1A/LSD1, with an IC50 of 84 nM. This small molecule is a valuable research tool for investigating epigenetic mechanisms in oncology and other disease models, supporting both in vitro and in vivo experimental applications.
CAS Number
1831167-98-6
Product Name Alternative
DDP 38003, DDP 38003 Dihydrochloride, DDP 38003 dihydrochloride, DDP38003, DDP-38003, DDP38003 dihydrochloride, DDP38003 Dihydrochloride, DDP-38003 Dihydrochloride, KDM1A/LSD1, LSD1/KDM1A, HistoneDemethylase, Histone Demethylase
Field of Research
Epigenetics & Chromatin
Purity
99.50% (May vary between batches)
Solubility
DMSO:10 mg/mL (23.62 mM)
Smiles
N[C@H]1[C@H] (C2=CC=C (C=C2) NC (C3=CC=C (N4CCN (CC4) C) C=C3) =O) C1.Cl.Cl
Molecular Formula
C21H28Cl2N4O
Molecular Weight
423.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DDP-38003 dihydrochloride
CAS Number1831167-98-6
PubChem CID102004295
IUPAC NameN-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide;dihydrochloride
Molecular FormulaC21H28Cl2N4O
Molecular Weight423.4
Topological Polar Surface Area61.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity474
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)[C@@H]4C[C@H]4N.Cl.Cl
InChI
InChI=1S/C21H26N4O.2ClH/c1-24-10-12-25(13-11-24)18-8-4-16(5-9-18)21(26)23-17-6-2-15(3-7-17)19-14-20(19)22;;/h2-9,19-20H,10-14,22H2,1H3,(H,23,26);2*1H/t19-,20+;;/m0../s1
InChIKey
HFSFENIQYFFMGC-HUQPAIQZSA-N
Chemical Structure
2D Structure
2D structure of DDP-38003 dihydrochloride
CAS: 1831167-98-6
CID: 102004295
Formula: C21H28Cl2N4O
MW: 423.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass422.1640169
Monoisotopic Mass422.1640169
Topological Polar Surface Area61.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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