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HTH-01-015

CAT: 0013-GTR19174974-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174974-03Size:5 mg
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Description
HTH-01-015 is a potent and selective small molecule inhibitor of the NUAK1 kinase, demonstrating an IC50 of 100 nM. This compound is a valuable research tool for investigating NUAK1's role in cellular processes such as metabolism and autophagy, both in vitro and in animal models of related diseases.
CAS Number
1613724-42-7
Product Name Alternative
AMP-activated protein kinase, AMPK, inhibit, NUAK1, NUAK2, HTH 01 015, HTH01015, HTH-01-015, Inhibitor
Field of Research
Epigenetics & Chromatin, Signal Transduction
Purity
98.10% (May vary between batches)
Solubility
DMSO:52 mg/mL (110.98 mM) ; Ethanol:28 mg/mL (59.76 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.13 mM) ; H2O:< 1 mg/mL (insoluble or slightly soluble)
Smiles
CN1c2cc3ccccc3cc2C (=O) N (C) c2c (C) nc (Nc3cnn (c3) C3CCNCC3) nc12
Molecular Formula
C26H28N8O
Molecular Weight
468.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hth-01-015

HTH-01-015 is an organic heterotetracyclic compound that is 5,13-dihydro-6H-naphtho[2,3-e]pyrimido[5,4-b][1,4]diazepin-6-one substituted by methyl groups at positions 4, 5 and 13, and by a [1-(piperidin-4-yl)-1H-pyrazol-4-yl]amino group at position 2. It is a potent NUAK1 inhibitor (IC50 = 100 nM). It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is a member of piperidines, a member of pyrazoles, an aromatic amine, an organic heterotetracyclic compound, a secondary amino compound and a tertiary amino compound.

CAS Number1613724-42-7
PubChem CID78357766
IUPAC Name2,7,9-trimethyl-5-[(1-piperidin-4-ylpyrazol-4-yl)amino]-2,4,6,9-tetrazatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one
Molecular FormulaC26H28N8O
Molecular Weight468.6
XLogP3.2
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count35
Formal Charge0
Complexity762
SMILES
CC1=C2C(=NC(=N1)NC3=CN(N=C3)C4CCNCC4)N(C5=CC6=CC=CC=C6C=C5C(=O)N2C)C
InChI
InChI=1S/C26H28N8O/c1-16-23-24(31-26(29-16)30-19-14-28-34(15-19)20-8-10-27-11-9-20)32(2)22-13-18-7-5-4-6-17(18)12-21(22)25(35)33(23)3/h4-7,12-15,20,27H,8-11H2,1-3H3,(H,29,30,31)
InChIKey
CHSDJDLAKKAWCI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hth-01-015
CAS: 1613724-42-7
CID: 78357766
Formula: C26H28N8O
MW: 468.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.6
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass468.23860755
Monoisotopic Mass468.23860755
Topological Polar Surface Area91.2 Ų
Heavy Atom Count35
Formal Charge0
Complexity762
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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