DiaPep 277

Identification

Generic Name

DiaPep 277

DrugBank Accession Number

DB06651

Background

DiaPep 277 is a 24-mer laboratory-made peptide derived from Hsp60(437-460).

Type

Small Molecule

Groups

Investigational

Structure

Download

MOLSDFPDBSMILESInChI

Similar Structures

Structure for DiaPep 277 (DB06651)

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Weight

Average: 2390.768
Monoisotopic: 2389.321674988

Chemical Formula

C₁₀₆H₁₈₀N₂₈O₃₄

Synonyms

Not Available

External IDs

• AVE0277
• DiaPep 277
• DiaPep-277
• DiaPep277

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Pharmacology

Indication

Investigated for use/treatment in diabetes mellitus type 1, autoimmune diseases, and diabetes mellitus type 2.

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Contraindications & Blackbox Warnings

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Pharmacodynamics

Not Available

Mechanism of action

Not Available

Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism

Not Available

Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects

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Toxicity

Not Available

Pathways

Not Available

Pharmacogenomic Effects/ADRs

Not Available

Interactions

Drug Interactions

This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.

Not Available

Food Interactions

Not Available

Categories

Drug Categories

• Acid Anhydride Hydrolases
• Adenosine Triphosphatases
• Amino Acids, Peptides, and Proteins
• Chaperonins
• Diabetes Mellitus, Type 1
• Enzymes
• Enzymes and Coenzymes
• Group I Chaperonins
• Heat-Shock Proteins
• Hydrolases
• Molecular Chaperones
• Peptides
• Proteins

Classification

Not classified

Affected organisms

Not Available

Chemical Identifiers

UNII

F8778UWB0A

CAS number

179822-83-4

InChI Key

VGGRNGOEDNBLPH-YJHCMWSWSA-N

InChI

InChI=1S/C106H180N28O34/c1-23-55(18)83(131-102(164)82(54(16)17)130-90(152)60(27-24-32-111-106(109)110)118-91(153)65(38-50(8)9)123-92(154)63(36-48(4)5)121-87(149)58(21)117-101(163)81(53(14)15)129-76(140)45-113-74(138)43-112-75(139)44-114-88(150)62(35-47(2)3)126-100(162)80(108)52(12)13)103(165)133-33-25-28-71(133)98(160)115-56(19)85(147)120-64(37-49(6)7)93(155)125-68(41-78(143)144)95(157)128-70(46-135)97(159)124-66(39-51(10)11)96(158)132-84(59(22)136)104(166)134-34-26-29-72(134)99(161)116-57(20)86(148)122-67(40-73(107)137)94(156)119-61(30-31-77(141)142)89(151)127-69(105(167)168)42-79(145)146/h47-72,80-84,135-136H,23-46,108H2,1-22H3,(H2,107,137)(H,112,139)(H,113,138)(H,114,150)(H,115,160)(H,116,161)(H,117,163)(H,118,153)(H,119,156)(H,120,147)(H,121,149)(H,122,148)(H,123,154)(H,124,159)(H,125,155)(H,126,162)(H,127,151)(H,128,157)(H,129,140)(H,130,152)(H,131,164)(H,132,158)(H,141,142)(H,143,144)(H,145,146)(H,167,168)(H4,109,110,111)/t55-,56-,57-,58-,59+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,80-,81-,82-,83-,84-/m0/s1

IUPAC Name

(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-({[(2S)-1-[(2S,3R)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-({[(2S)-1-[(2S,3S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S)-2-{[2-({2-[(2-{[(2S)-2-{[(2S)-2-amino-1-hydroxy-3-methylbutylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-1-hydroxyethylidene)amino]-1-hydroxyethylidene}amino)-1-hydroxyethylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-1-hydroxypropylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-3-methylpentanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxypropylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-3-carboxy-1-hydroxypropylidene]amino}-1,3-dihydroxypropylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-3-hydroxybutanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxypropylidene]amino}-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene]amino}-4-carboxy-1-hydroxybutylidene]amino}butanedioic acid

SMILES

[H][C@](C)(O)[C@]([H])(N=C(O)[C@]([H])(CC(C)C)N=C(O)[C@]([H])(CO)N=C(O)[C@]([H])(CC(O)=O)N=C(O)[C@]([H])(CC(C)C)N=C(O)[C@]([H])(C)N=C(O)[C@]1([H])CCCN1C(=O)[C@@]([H])(N=C(O)[C@@]([H])(N=C(O)[C@]([H])(CCCNC(N)=N)N=C(O)[C@]([H])(CC(C)C)N=C(O)[C@]([H])(CC(C)C)N=C(O)[C@]([H])(C)N=C(O)[C@@]([H])(N=C(O)CN=C(O)CN=C(O)CN=C(O)[C@]([H])(CC(C)C)N=C(O)[C@@]([H])(N)C(C)C)C(C)C)C(C)C)[C@@]([H])(C)CC)C(=O)N1CCC[C@@]1([H])C(O)=N[C@@]([H])(C)C(O)=N[C@@]([H])(CC(O)=N)C(O)=N[C@@]([H])(CCC(O)=O)C(O)=N[C@@]([H])(CC(O)=O)C(O)=O

References

General References

Not Available

External Links

ChemSpider

17295207

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count
3	Completed	Treatment	Type 1 Diabetes Mellitus	3
3	Terminated	Treatment	Type 1 Diabetes Mellitus	2
2	Terminated	Treatment	Diabetes, Autoimmune	1
1, 2	Withdrawn	Treatment	Type 1 Diabetes Mellitus	1

Pharmacoeconomics

Manufacturers

Not Available

Packagers

Not Available

Dosage Forms

Not Available

Prices

Not Available

Patents

Not Available

Properties

State

Solid

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.0386 mg/mL	ALOGPS
logP	1.29	ALOGPS
logP	6.46	Chemaxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	2.48	Chemaxon
pKa (Strongest Basic)	11.86	Chemaxon
Physiological Charge	-12	Chemaxon
Hydrogen Acceptor Count	60	Chemaxon
Hydrogen Donor Count	33	Chemaxon
Polar Surface Area	1046.67 Å2	Chemaxon
Rotatable Bond Count	75	Chemaxon
Refractivity	622.73 m3·mol-1	Chemaxon
Polarizability	253.23 Å3	Chemaxon
Number of Rings	2	Chemaxon
Bioavailability	0	Chemaxon
Rule of Five	No	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	No	Chemaxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Not Available

Chromatographic Properties

Collision Cross Sections (CCS)

Not Available

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Drug created at March 19, 2008 16:44 / Updated at June 12, 2020 16:52