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FSLLRY-NH2

CAT: 0931-TP1904-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TP1904-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
245329-02-6
Target
Protease-activated Receptor
Related Pathways
GPCR/G Protein
Bioactivity
Selective PAR2 peptide antagonist. Reverses taxol-induced mechanical allodynia, heat hyperalgesia and PKC activation in ICR mice. Blocks ERK activation and collagen production in isolated cardiac fibroblasts. Also reduces symptoms in a mouse model of dermatophyte-associated itch.
Smiles
[C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC1=CC=CC=C1)N)=O)CO)=O)CC(C)C)=O)CC(C)C)=O)(C(N[C@@H](CC2=CC=C(O)C=C2)C(N)=O)=O)CCCNC(=N)N
Molecular Formula
C39H60N10O8
Molecular Weight
796.97
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Fsllry-NH2
CAS Number245329-02-6
PubChem CID73352412
IUPAC Name(2S)-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide
Molecular FormulaC39H60N10O8
Molecular Weight797.0
XLogP0.6
Topological Polar Surface Area319
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count10
Rotatable Bond Count24
Heavy Atom Count57
Formal Charge0
Complexity1330
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=CC=C2)N
InChI
InChI=1S/C39H60N10O8/c1-22(2)17-30(36(55)45-28(11-8-16-44-39(42)43)35(54)46-29(33(41)52)20-25-12-14-26(51)15-13-25)47-37(56)31(18-23(3)4)48-38(57)32(21-50)49-34(53)27(40)19-24-9-6-5-7-10-24/h5-7,9-10,12-15,22-23,27-32,50-51H,8,11,16-21,40H2,1-4H3,(H2,41,52)(H,45,55)(H,46,54)(H,47,56)(H,48,57)(H,49,53)(H4,42,43,44)/t27-,28-,29-,30-,31-,32-/m0/s1
InChIKey
KMSCNWHRNILNRJ-JNRWAQIZSA-N
Chemical Structure
2D Structure
2D structure of Fsllry-NH2
CAS: 245329-02-6
CID: 73352412
Formula: C39H60N10O8
MW: 797.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight797.0
XLogP30.6
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count10
Rotatable Bond Count24
Exact Mass796.45955891
Monoisotopic Mass796.45955891
Topological Polar Surface Area319 Ų
Heavy Atom Count57
Formal Charge0
Complexity1330
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes