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RXFP3/4 agonist 2

CAT: 0931-T61964Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T61964Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2752378-78-0
Target
RXFP receptor
Related Pathways
GPCR/G Protein
Purity
0.9982
Bioactivity
RXFP3/4 agonist 2 is a potent, non-peptidic bis-RXFP3/4 agonist that facilitates the interaction between RXFP3 and β-arrestin-2 and is useful for studying diseases caused by metabolic abnormalities.
Smiles
COC(=O)c1ccc(CCNC(=N)N\N=C\c2c[nH]c3c(C)cc(cc23)C#N)cc1
Molecular Formula
C22H22N6O2
Molecular Weight
402.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

RXFP3/4 agonist 2
CAS Number2752378-78-0
PubChem CID162679305
IUPAC Namemethyl 4-[2-[[amino-[(2E)-2-[(5-cyano-7-methyl-1H-indol-3-yl)methylidene]hydrazinyl]methylidene]amino]ethyl]benzoate
Molecular FormulaC22H22N6O2
Molecular Weight402.4
XLogP2.7
Topological Polar Surface Area129
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity691
SMILES
CC1=CC(=CC2=C1NC=C2/C=N/NC(=NCCC3=CC=C(C=C3)C(=O)OC)N)C#N
InChI
InChI=1S/C22H22N6O2/c1-14-9-16(11-23)10-19-18(12-26-20(14)19)13-27-28-22(24)25-8-7-15-3-5-17(6-4-15)21(29)30-2/h3-6,9-10,12-13,26H,7-8H2,1-2H3,(H3,24,25,28)/b27-13+
InChIKey
XIVYUSRYHWXGLX-UVHMKAGCSA-N
Chemical Structure
2D Structure
2D structure of RXFP3/4 agonist 2
CAS: 2752378-78-0
CID: 162679305
Formula: C22H22N6O2
MW: 402.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.4
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass402.18042397
Monoisotopic Mass402.18042397
Topological Polar Surface Area129 Ų
Heavy Atom Count30
Formal Charge0
Complexity691
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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