DiaPep 277

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
DiaPep 277
Accession Number
DB06651
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
External IDs
AVE0277 / DiaPep 277 / DiaPep-277 / DiaPep277
Categories
UNII
F8778UWB0A
CAS number
179822-83-4
Weight
Average: 2390.768
Monoisotopic: 2389.321674988
Chemical Formula
C106H180N28O34
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

Pharmacology

Indication

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

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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
17295207

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2WithdrawnTreatmentDiabetes Type One / Type One Diabetes1
2TerminatedTreatmentDiabetes, Autoimmune1
3CompletedTreatmentType 1 Insulin-Dependent Diabetes Mellitus3
3TerminatedTreatmentType 1 Insulin-Dependent Diabetes Mellitus2

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
PropertyValueSource
Water Solubility0.0386 mg/mLALOGPS
logP1.29ALOGPS
logP6.46ChemAxon
logS-4.8ALOGPS
pKa (Strongest Acidic)2.48ChemAxon
pKa (Strongest Basic)11.86ChemAxon
Physiological Charge-12ChemAxon
Hydrogen Acceptor Count60ChemAxon
Hydrogen Donor Count33ChemAxon
Polar Surface Area1046.67 Å2ChemAxon
Rotatable Bond Count75ChemAxon
Refractivity622.73 m3·mol-1ChemAxon
Polarizability253.23 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Classification
Not classified

Drug created on March 19, 2008 10:44 / Updated on June 04, 2019 06:27