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PAMP-12 (human, porcine)

CAT: 0931-TP1880Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TP1880Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
196305-05-2
Target
MRGPR
Related Pathways
GPCR/G Protein
Bioactivity
Potent endogenous peptide agonist of Mas related GPR X2 (MRGPRX2, EC50 = 57.2 nM) . Corresponds to amino acids 9 to 20 of proadrenomedullin.
Smiles
C([C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC1=CC=CC=C1)N)=O)CCCNC(=N)N)=O)CCCCN)=O)CCCCN)=O)C(N[C@H](C(N[C@H](C(N[C@@H](CC=2C=3C(NC2)=CC=CC3)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CCCNC(=N)N)C(N)=O)=O)CO)=O)CC(C)C)=O)C)=O)=O)CCCCN)=O)CC(N)=O)=O)C=4C=5C(NC4)=CC=CC5
Molecular Formula
C77H119N25O14
Molecular Weight
1618.95
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PAMP-12 (human, porcine)
CAS Number196305-05-2
PubChem CID16137959
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]butanediamide
Molecular FormulaC77H119N25O14
Molecular Weight1618.9
XLogP-2.7
Topological Polar Surface Area686
Hydrogen Bond Donor Count26
Hydrogen Bond Acceptor Count20
Rotatable Bond Count56
Heavy Atom Count116
Formal Charge0
Complexity3210
SMILES
C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC5=CC=CC=C5)N
InChI
InChI=1S/C77H119N25O14/c1-43(2)35-58(72(113)102-62(42-103)75(116)93-53(64(83)105)28-17-33-88-76(84)85)98-65(106)44(3)92-71(112)59(37-46-40-90-51-23-9-7-21-48(46)51)99-70(111)56(27-13-16-32-80)97-74(115)61(39-63(82)104)101-73(114)60(38-47-41-91-52-24-10-8-22-49(47)52)100-69(110)55(26-12-15-31-79)96-67(108)54(25-11-14-30-78)95-68(109)57(29-18-34-89-77(86)87)94-66(107)50(81)36-45-19-5-4-6-20-45/h4-10,19-24,40-41,43-44,50,53-62,90-91,103H,11-18,25-39,42,78-81H2,1-3H3,(H2,82,104)(H2,83,105)(H,92,112)(H,93,116)(H,94,107)(H,95,109)(H,96,108)(H,97,115)(H,98,106)(H,99,111)(H,100,110)(H,101,114)(H,102,113)(H4,84,85,88)(H4,86,87,89)/t44-,50-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1
InChIKey
DNUWKYBPCFUDDK-DYQOJKGJSA-N
Chemical Structure
2D Structure
2D structure of PAMP-12 (human, porcine)
CAS: 196305-05-2
CID: 16137959
Formula: C77H119N25O14
MW: 1618.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1618.9
XLogP3-2.7
Hydrogen Bond Donor Count26
Hydrogen Bond Acceptor Count20
Rotatable Bond Count56
Exact Mass1617.93683357
Monoisotopic Mass1617.93683357
Topological Polar Surface Area686 Ų
Heavy Atom Count116
Formal Charge0
Complexity3210
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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