Pentigetide

CAT: 0804-HY-P3746-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-P3746-01Size:5 mg

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Description

Pentigetide is a sythsis pepetide (Asp-Ser-Asp-Pro-Arg or D-S-D-P-R), also know as “HEPP” for “Human IgE Pentapeptide”. Pentigetide can not produce IgE inhibition in several different systems, due to the aspartic acids in HEPP changed into an asparagine[1].

CAS Number

62087-72-3

UNSPSC

12352209

Target

Others

Type

Peptides

Related Pathways

Others

Applications

COVID-19-immunoregulation

Field of Research

Inflammation/Immunology

Assay Protocol

https://www.medchemexpress.com/pentigetide.html

Purity

99.35

Solubility

DMSO : 50 mg/mL (ultrasonic)

Smiles

OC(C[C@H](N)C(N[C@@H](CO)C(N[C@@H](CC(O)=O)C(N1[C@@H](CCC1)C(N[C@H](C(O)=O)CCCNC(N)=N)=O)=O)=O)=O)=O

Molecular Formula

C22H36N8O11

Molecular Weight

588.57

References & Citations

[1]Hamburger R N. Recent Studies with Human IgE Pentapeptide (HEPP) [M]//New Trends in Allergy. Springer, Berlin, Heidelberg, 1981: 311-319.

Shipping Conditions

Blue Ice

Storage Conditions

-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture)

Scientific Category

Peptides

Clinical Information

No Development Reported

Chemical Information

Pentigetide

Pentigetide is an oligopeptide.

CAS Number	62087-72-3
PubChem CID	162960
IUPAC Name	(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular Formula	C22H36N8O11
Molecular Weight	588.6
XLogP	-9.2
Topological Polar Surface Area	330
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	17
Heavy Atom Count	41
Formal Charge	0
Complexity	1030

SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C22H36N8O11/c23-10(7-15(32)33)17(36)29-13(9-31)18(37)28-12(8-16(34)35)20(39)30-6-2-4-14(30)19(38)27-11(21(40)41)3-1-5-26-22(24)25/h10-14,31H,1-9,23H2,(H,27,38)(H,28,37)(H,29,36)(H,32,33)(H,34,35)(H,40,41)(H4,24,25,26)/t10-,11-,12-,13-,14-/m0/s1

InChIKey

KQDIGHIVUUADBZ-PEDHHIEDSA-N

Chemical Structure

2D Structure

CAS: 62087-72-3

CID: 162960

Formula: C22H36N8O11

MW: 588.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	588.6
XLogP3	-9.2
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	17
Exact Mass	588.25035399
Monoisotopic Mass	588.25035399
Topological Polar Surface Area	330 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	1030
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Pentigetide

Chemical Information

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