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UNC2400

CAT: 0804-HY-12845-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-12845-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
UNC2400 is a close analog of UNC1999 with >1,000-fold lower potency than UNC1999 as a negative control for cell-based studies[1][2].
CAS Number
1433200-49-7
UNSPSC
12352005
Target
Autophagy; Histone Methyltransferase
Type
Reference compound
Related Pathways
Autophagy; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/unc2400.html
Purity
99.92
Solubility
DMSO : 65 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(C1=CC(C2=CC=C(N3CCN(C(C)C)CC3)N=C2)=CC4=C1C=NN4C(C)C)N(CC5=C(CCC)C=C(C)N(C)C5=O)C
Molecular Formula
C35H47N7O2
Molecular Weight
597.79
References & Citations
[1]Kyle D Konze, et al. An orally bioavailable chemical probe of the Lysine Methyltransferases EZH2 and EZH1. ACS Chem Biol. 2013;8 (6) :1324-34.|[2]Bowen Xu, et al. Selective inhibition of EZH2 and EZH1 enzymatic activity by a small molecule suppresses MLL-rearranged leukemia. Blood. 2015 Jan 8;125 (2) :346-57.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-[(1,2-Dihydro-1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-(1-methylethyl)-6-[6-[4-(1-methylethyl)-1-piperazinyl]-3-pyridinyl]-1H-indazole-4-carboxamide
CAS Number1433200-49-7
PubChem CID91691116
IUPAC NameN-[(1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
Molecular FormulaC35H47N7O2
Molecular Weight597.8
XLogP4.6
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count44
Formal Charge0
Complexity1090
SMILES
CCCC1=C(C(=O)N(C(=C1)C)C)CN(C)C(=O)C2=C3C=NN(C3=CC(=C2)C4=CN=C(C=C4)N5CCN(CC5)C(C)C)C(C)C
InChI
InChI=1S/C35H47N7O2/c1-9-10-26-17-25(6)39(8)35(44)31(26)22-38(7)34(43)29-18-28(19-32-30(29)21-37-42(32)24(4)5)27-11-12-33(36-20-27)41-15-13-40(14-16-41)23(2)3/h11-12,17-21,23-24H,9-10,13-16,22H2,1-8H3
InChIKey
IFSQHIRDVVFJSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[(1,2-Dihydro-1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-(1-methylethyl)-6-[6-[4-(1-methylethyl)-1-piperazinyl]-3-pyridinyl]-1H-indazole-4-carboxamide
CAS: 1433200-49-7
CID: 91691116
Formula: C35H47N7O2
MW: 597.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight597.8
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass597.37912377
Monoisotopic Mass597.37912377
Topological Polar Surface Area77.8 Ų
Heavy Atom Count44
Formal Charge0
Complexity1090
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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