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Ser-Ala-alloresact

CAT: 0804-HY-P3710Size: 1 EachDry Ice: NoHazardous: No
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Description
Ser-Ala-alloresact is a sperm activating peptide (SAP) . The peptides released from eggs of marine invertebrates play a central role in fertilization[1][2].
CAS Number
140653-27-6
UNSPSC
12352209
Target
Calcium Channel
Type
Peptides
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/ser-ala-alloresact.html
Solubility
10 mM in DMSO
Smiles
O=C1N2C(C(NCC(NCC(N[C@H](C(N[C@@H](CSSC[C@@H]1NC([C@H](CC(C)C)NC([C@H](CCCCN)NC([C@H](C)NC([C@@H](N)CO)=O)=O)=O)=O)C(N[C@H](C(O)=O)C(C)C)=O)=O)CC(N)=O)=O)=O)=O)([H])CCC2
Molecular Formula
C42H71N13O14S2
Molecular Weight
1046.22
References & Citations
[1]Suzuki N, et al. A novel group of sperm activating peptides from the sea urchin Glyptocidaris crenularis. Comp Biochem Physiol C Comp Pharmacol Toxicol. 1988;90 (2) :305-11. |[2]Matsumoto M, et al. A sperm-activating peptide controls a cGMP-signaling pathway in starfish sperm. Dev Biol. 2003 Aug 15;260 (2) :314-24. |[3]Darszon A, et al. Sperm-activating peptides in the regulation of ion fluxes, signal transduction and motility. Int J Dev Biol. 2008;52 (5-6) :595-606.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

CID 102601992
CAS Number140653-27-6
PubChem CID102601992
IUPAC Name(2S)-2-[[(3R,8R,11S,20S)-3-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-11-(2-amino-2-oxoethyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosane-8-carbonyl]amino]-3-methylbutanoic acid
Molecular FormulaC42H71N13O14S2
Molecular Weight1046.2
XLogP-6.8
Topological Polar Surface Area485
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count18
Rotatable Bond Count21
Heavy Atom Count71
Formal Charge0
Complexity1930
SMILES
C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H]2CCCN2C1=O)CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CO)N
InChI
InChI=1S/C42H71N13O14S2/c1-20(2)13-25(51-36(62)24(9-6-7-11-43)50-34(60)22(5)48-35(61)23(44)17-56)37(63)53-28-19-71-70-18-27(39(65)54-33(21(3)4)42(68)69)52-38(64)26(14-30(45)57)49-32(59)16-46-31(58)15-47-40(66)29-10-8-12-55(29)41(28)67/h20-29,33,56H,6-19,43-44H2,1-5H3,(H2,45,57)(H,46,58)(H,47,66)(H,48,61)(H,49,59)(H,50,60)(H,51,62)(H,52,64)(H,53,63)(H,54,65)(H,68,69)/t22-,23-,24-,25-,26-,27-,28-,29-,33-/m0/s1
InChIKey
CSUVIBOHPJFWDA-CSJBYALQSA-N
Chemical Structure
2D Structure
2D structure of CID 102601992
CAS: 140653-27-6
CID: 102601992
Formula: C42H71N13O14S2
MW: 1046.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1046.2
XLogP3-6.8
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count18
Rotatable Bond Count21
Exact Mass1045.46848634
Monoisotopic Mass1045.46848634
Topological Polar Surface Area485 Ų
Heavy Atom Count71
Formal Charge0
Complexity1930
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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