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Chemistry

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Also known as: Mdl-101628, Mdl 101628, Mdl-101,628, 142589-11-5, Pyrido(2,1-a)(2)benzazepine-4-carboxylic acid, 1,2,3,4,6,7,8,12b-octahydro-7-(((2r)-2-mercapto-1-oxo-3-phenylpropyl)amino)-6-oxo-, (4s,7s,12br)-
Molecular Formula
C24H26N2O4S
Molecular Weight
438.5  g/mol
InChI Key
RIWRWPXUDHZKIO-JSXRDJHFSA-N

MDL-101
1 2D Structure

MDL-101

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4S,7S,12bR)-6-oxo-7-[[(2R)-3-phenyl-2-sulfanylpropanoyl]amino]-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
2.1.2 InChI
InChI=1S/C24H26N2O4S/c27-22(21(31)13-15-7-2-1-3-8-15)25-18-14-16-9-4-5-10-17(16)19-11-6-12-20(24(29)30)26(19)23(18)28/h1-5,7-10,18-21,31H,6,11-14H2,(H,25,27)(H,29,30)/t18-,19+,20-,21+/m0/s1
2.1.3 InChI Key
RIWRWPXUDHZKIO-JSXRDJHFSA-N
2.1.4 Canonical SMILES
C1CC2C3=CC=CC=C3CC(C(=O)N2C(C1)C(=O)O)NC(=O)C(CC4=CC=CC=C4)S
2.1.5 Isomeric SMILES
C1C[C@@H]2C3=CC=CC=C3C[C@@H](C(=O)N2[C@@H](C1)C(=O)O)NC(=O)[C@@H](CC4=CC=CC=C4)S
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Mdl 100,173

2. Mdl 100173

3. Mdl 101,628

4. Mdl 101628

5. Mdl-100,173

6. Mdl-100173

7. Mdl-101,628

8. Mdl-101628

2.2.2 Depositor-Supplied Synonyms

1. Mdl-101628

2. Mdl 101628

3. Mdl-101,628

4. 142589-11-5

5. Pyrido(2,1-a)(2)benzazepine-4-carboxylic Acid, 1,2,3,4,6,7,8,12b-octahydro-7-(((2r)-2-mercapto-1-oxo-3-phenylpropyl)amino)-6-oxo-, (4s,7s,12br)-

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 438.5 g/mol
Molecular Formula C24H26N2O4S
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass438.16132849 g/mol
Monoisotopic Mass438.16132849 g/mol
Topological Polar Surface Area87.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity681
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

Drugs in Development

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Details:

MDL-101 is an experimental, epigenetic editing therapy, which is under investigation in the early-stage clinical trial studies for the treatment of LAMA2-congenital muscular dystrophy.


Lead Product(s): MDL-101

Therapeutic Area: Rare Diseases and Disorders Brand Name: MDL-101

Study Phase: PreclinicalProduct Type: Cell and Gene therapy

Sponsor: Not Applicable

Deal Size: Not Applicable Upfront Cash: Not Applicable

Deal Type: Not Applicable September 30, 2024

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01

American Pharma Summit
Not Confirmed
American Pharma Summit
Not Confirmed

Details : MDL-101 is an experimental, epigenetic editing therapy, which is under investigation in the early-stage clinical trial studies for the treatment of LAMA2-congenital muscular dystrophy.

Brand Name : MDL-101

Molecule Type : Cell and Gene therapy

Upfront Cash : Not Applicable

September 30, 2024

blank

Details:

MDL-101 is an experimental, epigenetic editing therapy, which is under investigation in the early-stage clinical trial studies for the treatment of LAMA2-congenital muscular dystrophy.


Lead Product(s): MDL-101

Therapeutic Area: Rare Diseases and Disorders Brand Name: MDL-101

Study Phase: PreclinicalProduct Type: Cell and Gene therapy

Sponsor: Not Applicable

Deal Size: Not Applicable Upfront Cash: Not Applicable

Deal Type: Not Applicable May 07, 2024

blank

02

American Pharma Summit
Not Confirmed
American Pharma Summit
Not Confirmed

Details : MDL-101 is an experimental, epigenetic editing therapy, which is under investigation in the early-stage clinical trial studies for the treatment of LAMA2-congenital muscular dystrophy.

Brand Name : MDL-101

Molecule Type : Cell and Gene therapy

Upfront Cash : Not Applicable

May 07, 2024

blank

Details:

MDL-101, an experimental, epigenetic modulation therapy, in preclinical data it supported durability and efficacy of a differentiated precision medicine approached for Congenital Muscular Dystrophy type 1a.


Lead Product(s): MDL-101

Therapeutic Area: Rare Diseases and Disorders Brand Name: MDL-101

Study Phase: PreclinicalProduct Type: Cell and Gene therapy

Sponsor: Not Applicable

Deal Size: Not Applicable Upfront Cash: Not Applicable

Deal Type: Not Applicable April 20, 2022

blank

03

American Pharma Summit
Not Confirmed
American Pharma Summit
Not Confirmed

Details : MDL-101, an experimental, epigenetic modulation therapy, in preclinical data it supported durability and efficacy of a differentiated precision medicine approached for Congenital Muscular Dystrophy type 1a.

Brand Name : MDL-101

Molecule Type : Cell and Gene therapy

Upfront Cash : Not Applicable

April 20, 2022

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