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AC10142A

CAT: 0013-GTR19239837-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239837-03Size:100 mg
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Description
AC10142A is a potent and selective adenylyl cyclase type 1 (AC1) inhibitor with an IC50 of 0.26 μM. It is a valuable research tool for investigating AC1 signaling in preclinical models, particularly in the study of pain mechanisms, both in vitro and in vivo.
CAS Number
2963581-29-3
Field of Research
Neuroscience
Smiles
N ([C@@H] (C) C1=CC=CC=C1) C=2N (N=C (C) C2) C=3NC (CC) =CC (=O) N3
Molecular Formula
C18H21N5O
Molecular Weight
323.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-ethyl-2-[3-methyl-5-[[(1S)-1-phenylethyl]amino]pyrazol-1-yl]-1H-pyrimidin-6-one
CAS Number2963581-29-3
PubChem CID169018011
IUPAC Name4-ethyl-2-[3-methyl-5-[[(1S)-1-phenylethyl]amino]pyrazol-1-yl]-1H-pyrimidin-6-one
Molecular FormulaC18H21N5O
Molecular Weight323.4
XLogP3.1
Topological Polar Surface Area71.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity524
SMILES
CCC1=CC(=O)NC(=N1)N2C(=CC(=N2)C)N[C@@H](C)C3=CC=CC=C3
InChI
InChI=1S/C18H21N5O/c1-4-15-11-17(24)21-18(20-15)23-16(10-12(2)22-23)19-13(3)14-8-6-5-7-9-14/h5-11,13,19H,4H2,1-3H3,(H,20,21,24)/t13-/m0/s1
InChIKey
CAWNPHNPLIIGTM-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of 4-ethyl-2-[3-methyl-5-[[(1S)-1-phenylethyl]amino]pyrazol-1-yl]-1H-pyrimidin-6-one
CAS: 2963581-29-3
CID: 169018011
Formula: C18H21N5O
MW: 323.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.4
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass323.17461031
Monoisotopic Mass323.17461031
Topological Polar Surface Area71.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity524
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T200961-01AC10142A

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