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AAG561

CAT: 0931-T212425-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T212425-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
235760-14-2
Target
CFTR
Related Pathways
Membrane transporter/Ion channel
Bioactivity
AAG561 is a corticotropin-releasing factor receptor 1 (CRF1) antagonist. It is useful for researching potential emotional dysregulation associated with psychiatric disorders or mental illnesses.
Smiles
ClC=1C=C(C2=NC=CN=C2C1NC3=NC(=NC(=C3C)N(CCC)CC4CC4)C)C
Molecular Formula
C22H27ClN6
Molecular Weight
410.94
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-N-(6-chloro-8-methylquinoxalin-5-yl)-4-N-(cyclopropylmethyl)-2,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CAS Number235760-14-2
PubChem CID17873397
IUPAC Name6-N-(6-chloro-8-methylquinoxalin-5-yl)-4-N-(cyclopropylmethyl)-2,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
Molecular FormulaC22H27ClN6
Molecular Weight410.9
XLogP5.2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity531
SMILES
CCCN(CC1CC1)C2=NC(=NC(=C2C)NC3=C(C=C(C4=NC=CN=C34)C)Cl)C
InChI
InChI=1S/C22H27ClN6/c1-5-10-29(12-16-6-7-16)22-14(3)21(26-15(4)27-22)28-19-17(23)11-13(2)18-20(19)25-9-8-24-18/h8-9,11,16H,5-7,10,12H2,1-4H3,(H,26,27,28)
InChIKey
IZVNOOHIAZYNQG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-N-(6-chloro-8-methylquinoxalin-5-yl)-4-N-(cyclopropylmethyl)-2,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CAS: 235760-14-2
CID: 17873397
Formula: C22H27ClN6
MW: 410.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.9
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass410.1985726
Monoisotopic Mass410.1985726
Topological Polar Surface Area66.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity531
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

Alternative Products

CatalogName
HY-177313AAG561

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