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AFP-07

CAT: 0013-GTR19200568-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200568-01Size:50 mg
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Description
AFP-07 is a potent and highly selective agonist of the prostacyclin (IP) receptor. It is a valuable research tool for studying IP receptor signaling in vitro and has been utilized in investigations of vascular and pulmonary biology.
CAS Number
171232-82-9
Field of Research
Cancer Biology, Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
[H][C@]12C[C@H] ([C@@H] ([C@]1 (C (F) (/C (O2) =C/CCCC ([O-]) =O) F) [H]) /C=C/[C@H] ([C@H] (CC#CCC) C) O) O.[Na+]
Molecular Formula
C22H29F2NaO5
Molecular Weight
434.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Afp-07

structure given in first source

CAS Number171232-82-9
PubChem CID23682638
IUPAC Namesodium (5Z)-5-[(3aR,4R,5R,6aS)-3,3-difluoro-5-hydroxy-4-[(E,3S,4S)-3-hydroxy-4-methylnon-1-en-6-ynyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoate
Molecular FormulaC22H29F2NaO5
Molecular Weight434.4
Topological Polar Surface Area89.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity709
SMILES
CCC#CC[C@H](C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C(/C(=C/CCCC(=O)[O-])/O2)(F)F)O)O.[Na+]
InChI
InChI=1S/C22H30F2O5.Na/c1-3-4-5-8-14(2)16(25)12-11-15-17(26)13-18-21(15)22(23,24)19(29-18)9-6-7-10-20(27)28;/h9,11-12,14-18,21,25-26H,3,6-8,10,13H2,1-2H3,(H,27,28);/q;+1/p-1/b12-11+,19-9-;/t14-,15-,16+,17+,18-,21+;/m0./s1
InChIKey
GBCFWAJYJCSFCG-VZKWKQLNSA-M
Chemical Structure
2D Structure
2D structure of Afp-07
CAS: 171232-82-9
CID: 23682638
Formula: C22H29F2NaO5
MW: 434.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass434.18807463
Monoisotopic Mass434.18807463
Topological Polar Surface Area89.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity709
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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T23657-01AFP-07
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HY-129293AFP-07 (free acid)
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S7923-5mgSH5-07 (SH-5-07)
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