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Defensin NP-3A

CAT: 0804-HY-P3981Size: 1 EachDry Ice: NoHazardous: No
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Description
Defensin NP-3A (NP-3A; Corticostatin 1) is a human granulocyte peptide, with anti-ACTH activity. Defensins are antimicrobial peptides with and cytotoxic activity[1][2].
CAS Number
134090-73-6
Product Name Alternative
NP-3A; Corticostatin 1, rabbit
UNSPSC
12352209
Target
Bacterial; Melanocortin Receptor
Type
Peptides
Related Pathways
Anti-infection; GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/defensin-np-3a.html
Solubility
10 mM in DMSO
Smiles
O=C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CSSC[C@@H](C(N[C@@H](CO)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(O)=O)=O)=O)=O)NC1=O)C(N[C@@H](C)C(N[C@@H](CSSC[C@@H](C(N[C@@H](CCCNC(N)=N)C(N[C@@H](C(C)C)C(N[C@@H](CC(N)=O)C(NCC(N[C@@H](C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC2=CC=C(C=C2)O)C(N[C@@H](C(C)C)C(N[C@H]3CCCNC(N)=N)=O)=O)=O)=O)=O)=O)=O)=O)=O)NC4=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC5=CC=CC=C5)C(N[C@@H](CSSC[C@@H]1NC3=O)C(N6[C@@H](CCC6)C(N[C@@H](CC(N)=O)C(N[C@@H](CO)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC7=CC=CC=C7)C(N[C@@H](CO)C(NCC(N[C@H]4CC8=CC=C(C=C8)O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CN
Molecular Formula
C163H259N63O44S6
Molecular Weight
3997.59
References & Citations
[1]Singh A, et al. Structure of a novel human granulocyte peptide with anti-ACTH activity. Biochem Biophys Res Commun. 1988 Aug 30;155 (1) :524-9. |[2]Lehrer RI, et al. Defensins: antimicrobial and cytotoxic peptides of mammalian cells. Annu Rev Immunol. 1993;11:105-28.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Corticostatin I (rabbit) trifluoroacetate salt
CAS Number134090-73-6
PubChem CID16130202
IUPAC Name(2S)-2-[[(1R,4S,7S,10S,13S,16R,22S,25S,28S,31S,34S,37S,40S,46S,49R,52S,55S,58S,64S,67S,70S,73S,76S,79R,82R,87R,90S)-87-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-13,37-dibenzyl-4,7,10,34,52,67,76-heptakis(3-carbamimidamidopropyl)-31-(2-carboxyethyl)-25,58-bis(carboxymethyl)-28,40-bis(hydroxymethyl)-46,70-bis[(4-hydroxyphenyl)methyl]-64,90-dimethyl-2,5,8,11,14,17,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,88,91-octacosaoxo-55,73-di(propan-2-yl)-84,85,94,95,98,99-hexathia-3,6,9,12,15,18,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,89,92-octacosazatetracyclo[47.43.4.416,79.018,22]hectane-82-carbonyl]amino]-3-hydroxypropanoic acid
Molecular FormulaC151H233N53O44S6
Molecular Weight3687.2
XLogP-13.7
Topological Polar Surface Area1750
Hydrogen Bond Donor Count61
Hydrogen Bond Acceptor Count58
Rotatable Bond Count64
Heavy Atom Count254
Formal Charge0
Complexity8620
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CSSC[C@H]3C(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CC5=CC=CC=C5)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@@H](NC1=O)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CCCNC(=N)N)C(C)C)CC6=CC=C(C=C6)O)CCCNC(=N)N)C)CC(=O)O)C(C)C)CCCNC(=N)N)CC7=CC=C(C=C7)O)CO)CC8=CC=CC=C8)CCCNC(=N)N)CCC(=O)O)CO)CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)NC(=O)CN
InChI
InChI=1S/C151H233N53O44S6/c1-9-74(6)115(201-107(210)60-152)142(245)199-100-66-249-252-69-103(137(240)194-99(65-207)144(247)248)198-138(241)104-70-253-254-71-105-143(246)204-53-23-35-106(204)139(242)190-96(59-112(217)218)131(234)193-98(64-206)133(236)185-90(44-45-110(213)214)126(229)182-87(32-20-50-171-149(161)162)124(227)187-92(54-77-24-12-10-13-25-77)129(232)192-97(63-205)119(222)175-62-109(212)178-91(56-79-36-40-81(208)41-37-79)128(231)197-102(68-251-250-67-101(195-117(220)76(8)177-134(100)237)135(238)183-85(30-18-48-169-147(157)158)121(224)180-84(29-17-47-168-146(155)156)120(223)181-86(31-19-49-170-148(159)160)123(226)188-93(130(233)200-105)55-78-26-14-11-15-27-78)136(239)184-89(34-22-52-173-151(165)166)127(230)202-114(73(4)5)141(244)191-95(58-111(215)216)118(221)174-61-108(211)176-75(7)116(219)179-83(28-16-46-167-145(153)154)122(225)189-94(57-80-38-42-82(209)43-39-80)132(235)203-113(72(2)3)140(243)186-88(125(228)196-104)33-21-51-172-150(163)164/h10-15,24-27,36-43,72-76,83-106,113-115,205-209H,9,16-23,28-35,44-71,152H2,1-8H3,(H,174,221)(H,175,222)(H,176,211)(H,177,237)(H,178,212)(H,179,219)(H,180,224)(H,181,223)(H,182,229)(H,183,238)(H,184,239)(H,185,236)(H,186,243)(H,187,227)(H,188,226)(H,189,225)(H,190,242)(H,191,244)(H,192,232)(H,193,234)(H,194,240)(H,195,220)(H,196,228)(H,197,231)(H,198,241)(H,199,245)(H,200,233)(H,201,210)(H,202,230)(H,203,235)(H,213,214)(H,215,216)(H,217,218)(H,247,248)(H4,153,154,167)(H4,155,156,168)(H4,157,158,169)(H4,159,160,170)(H4,161,162,171)(H4,163,164,172)(H4,165,166,173)/t74-,75-,76-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,113-,114-,115-/m0/s1
InChIKey
WGIWKPAHMJMNNZ-DCKQUMMGSA-N
Chemical Structure
2D Structure
2D structure of Corticostatin I (rabbit) trifluoroacetate salt
CAS: 134090-73-6
CID: 16130202
Formula: C151H233N53O44S6
MW: 3687.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3687.2
XLogP3-13.7
Hydrogen Bond Donor Count61
Hydrogen Bond Acceptor Count58
Rotatable Bond Count64
Exact Mass3685.5981798
Monoisotopic Mass3684.5948249
Topological Polar Surface Area1750 Ų
Heavy Atom Count254
Formal Charge0
Complexity8620
Isotope Atom Count0
Defined Atom Stereocenter Count30
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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