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MLN9708

MLN9708 structure

CAS No:
1201902-80-8
Formula:
C20H23BCl2N2O9
Chemical Name:
MLN9708
Synonyms:
4-(carboxymethyl)-2-((R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid;MLN9708;MLN9708,MLN-9708,MLN 9708;4-Carboxy-2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-6-oxo-1,3,2-dioxaborinane-4-acetic acid;4-Carboxy-2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-6-oxo-1,3,2-dioxaborinane-4-acetic acidMLN9708;Ixazomib Citrate;4-(Carboxymethyl)-2-((R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)-6-oxo-1,3,2-dio;MLN 9708 analog
Categories:
Biochemical Engineering > Inhibitors

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MLN9708 Basic Attributes

Molecular Weight：

517.12162

Exact Mass：

516.087341

EC Number：

-0

DSSTox ID：

DTXSID10152721

HScode：

29329990

Characteristics

PSA：

168

Density：

1.47

Refractive Index：

1.580

Safety Information

safety instructions：

24/25

Drug Information

MeSH：

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)|Compounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES). (See all compounds classified as Protease Inhibitors.)

MeSH Entry Terms：

ixazomib

MLN9708 Use and Manufacturing

Step 4: 4-(/?.S)-(carboxymethyl)-2-((/?)-l-(2-(2, 5-dichlorobenzamido)acetamido)-3- methylbutyl)-6-oxo-l, 3, 2-dioxaborinane-4-carboxylic acid (1-1)[0314] Form 1: To a solution of citric acid (2.75 g, 14.3 mmol) in EtOAc (85 mL) with an internal temperature of about 74

Computed Properties

Molecular Weight:517.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:10
Exact Mass:516.0873659
Monoisotopic Mass:516.0873659
Topological Polar Surface Area:168
Heavy Atom Count:34
Complexity:815
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1201902-80-8

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4-(carboxymethyl)-2-((R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid

CAS No.: 1201902-80-8

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CAS No.: 1201902-80-8

Grade: Pharmaceutical Grade

Content: 99%

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