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AZ7976

CAT: 0931-T85783-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T85783-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2813866-27-0
Target
RXFP receptor
Related Pathways
GPCR/G Protein
Bioactivity
AZ7976 (Compound 42), a potent and highly selective agonist for Relaxin Family Peptide Receptor 1 (RXFP1) with a pEC 50 value greater than 10.5, operates through an allosteric mechanism to enhance RXFP1's cAMP signaling, which physiologically elevates heart rate. This property makes AZ7976 a valuable tool in cardiovascular disease research [1].
Smiles
N(C(=O)C1=C(OC)C=C(F)C(O[C@@H]2CC[C@@](C(O)=O)(C)CC2)=C1)[C@H]3[C@@H](C(NC4=CC(S(F)(F)(F)(F)F)=C(F)C=C4)=O)[C@]5(C[C@@]3(CC5)[H])[H]
Molecular Formula
C30H33F7N2O6S
Molecular Weight
682.65
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[2-fluoro-5-[[(1S,2R,3S,4R)-3-[[4-fluoro-3-(pentafluoro-lambda6-sulfanyl)phenyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]carbamoyl]-4-methoxyphenoxy]-1-methylcyclohexane-1-carboxylic acid
CAS Number2813866-27-0
PubChem CID167398412
IUPAC Name4-[2-fluoro-5-[[(1S,2R,3S,4R)-3-[[4-fluoro-3-(pentafluoro-lambda6-sulfanyl)phenyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]carbamoyl]-4-methoxyphenoxy]-1-methylcyclohexane-1-carboxylic acid
Molecular FormulaC30H33F7N2O6S
Molecular Weight682.6
XLogP8.5
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count46
Formal Charge0
Complexity1190
SMILES
CC1(CCC(CC1)OC2=C(C=C(C(=C2)C(=O)N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(=O)NC5=CC(=C(C=C5)F)S(F)(F)(F)(F)F)OC)F)C(=O)O
InChI
InChI=1S/C30H33F7N2O6S/c1-30(29(42)43)9-7-18(8-10-30)45-23-13-19(22(44-2)14-21(23)32)27(40)39-26-16-4-3-15(11-16)25(26)28(41)38-17-5-6-20(31)24(12-17)46(33,34,35,36)37/h5-6,12-16,18,25-26H,3-4,7-11H2,1-2H3,(H,38,41)(H,39,40)(H,42,43)/t15-,16+,18?,25+,26-,30?/m1/s1
InChIKey
CDRWWKJURUZOFS-NSFQEJNMSA-N
Chemical Structure
2D Structure
2D structure of 4-[2-fluoro-5-[[(1S,2R,3S,4R)-3-[[4-fluoro-3-(pentafluoro-lambda6-sulfanyl)phenyl]carbamoyl]-2-bicyclo[2.2.1]heptanyl]carbamoyl]-4-methoxyphenoxy]-1-methylcyclohexane-1-carboxylic acid
CAS: 2813866-27-0
CID: 167398412
Formula: C30H33F7N2O6S
MW: 682.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight682.6
XLogP38.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass682.19475508
Monoisotopic Mass682.19475508
Topological Polar Surface Area115 Ų
Heavy Atom Count46
Formal Charge0
Complexity1190
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-162401AZ7976

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