L-aminocarnityl-succinyl-leucyl-argininal-diethylacetal

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

Identification

Accession Number

DB06124

Description

C-101, also called Myodur, is developed for the treatment of Duchenne’s muscular dystrophy (DMD) which is a morbid genetic disease that can lead to death in late adolescence due to accelerated skeletal muscle breakdown. C-101 includes a carnitine carrier molecule and a leupeptin analogue, a known calpain inhibitor. Calpain is the primary protease that degrades skeletal muscle.

Type

Small Molecule

Groups

Investigational

Structure

Similar Structures

Weight: Average: 587.763
Monoisotopic: 587.400647075
Chemical Formula: C₂₇H₅₃N₇O₇

Synonyms

Not Available

External IDs

C 101
C-101
C101

Pharmacology

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Drug Discovery

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Indication

Investigated for use/treatment in muscular dystrophy.

Contraindications & Blackbox Warnings

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Pharmacodynamics

Not Available

Mechanism of action

C-101 targets muscle cells by using a carnitine carrier molecule and inhibits calpain by attaching a leupeptin analogue onto the carrier. Leupeptin has been studied extensively in a variety of animal models and was shown to be an effective means of slowing or delaying muscle wasting. Carnitine is a compound present in skeletal muscle involved in the transfer of fatty acids across mitochondrial membranes. In C-101, the carnitine carrier molecule directs the leupeptin analogue into targeted cells where it inhibits the up-regulation of calpain. Therefore, by targeting a calpain inhibitor to muscle cells, it is believed that C-101 will prevent the degradation and promote the preservation of functional muscle.

Target	Actions	Organism
UCalpain-3	Not Available	Humans

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

Affected organisms

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

Products

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International/Other Brands: Myodur

Chemical Identifiers

UNII: BK727F83NO
CAS number: 1006685-44-4
InChI Key: JOITUBWXBFATOR-HKBOAZHASA-N
InChI: InChI=1S/C27H53N7O7/c1-8-40-26(41-9-2)20(11-10-14-30-27(28)29)33-25(39)21(15-18(3)4)32-23(36)13-12-22(35)31-19(16-24(37)38)17-34(5,6)7/h18-21,26H,8-17H2,1-7H3,(H7-,28,29,30,31,32,33,35,36,37,38,39)/t19-,20+,21+/m1/s1
IUPAC Name: (3R)-3-(3-{[(1S)-1-{[(2S)-5-carbamimidamido-1,1-diethoxypentan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}propanamido)-4-(trimethylazaniumyl)butanoate
SMILES: CCOC(OCC)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C

References

General References

Not Available

External Links

ChemSpider: 32699207

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count

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	0.0124 mg/mL	ALOGPS
logP	-0.97	ALOGPS
logP	-6.4	ChemAxon
logS	-4.7	ALOGPS
pKa (Strongest Acidic)	3.71	ChemAxon
pKa (Strongest Basic)	11.85	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	207.79 Å²	ChemAxon
Rotatable Bond Count	22	ChemAxon
Refractivity	187.34 m³·mol^-1	ChemAxon
Polarizability	65.49 Å³	ChemAxon
Number of Rings	0	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