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Boronic acids and esters

Mln9708

Also known as MLN 9708, 4-(carboxymethyl)-2-((R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid, Ixazomib Citrate (MLN9708)

CAS 1201902-80-8Formula C20H23BCl2N2O9Molar mass 517.13 g/mol
5 suppliers listed
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Mln9708 chemical structure, C20H23BCl2N2O9, CAS 1201902-80-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1201902-80-8
Formula
C20H23BCl2N2O9
Molar mass
517.13 g/mol
HS code
293190
Category
Boronic acids and esters

What is Mln9708?

Plain description, key identifiers and synonyms

Mln9708 is a chemical substance with the molecular formula C20H23BCl2N2O9 and a molar mass of 517.13 g/mol. Its CAS registry number is 1201902-80-8. The IUPAC name is 4-(carboxymethyl)-2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-(carboxymethyl)-2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid
CAS number
1201902-80-8 CAS number cross-checked
Molecular formula
C20H23BCl2N2O9
UNII
E8R04MBQ04
MDL number
MFCD18251437
InChIKey
YTXSYWAKVMZICI-PVCZSOGJSA-N
InChI
InChI=1S/C20H23BCl2N2O9/c1-10(2)5-14(21-33-17(29)8-20(34-21,19(31)32)7-16(27)28)25-15(26)9-24-18(30)12-6-11(22)3-4-13(12)23/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,24,30)(H,25,26)(H,27,28)(H,31,32)/t14-,20?/m0/s1
Canonical SMILES
CC(C)CC(NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)CC(CC(=O)O)(C(=O)O)O1
Isomeric SMILES
B1(OC(=O)CC(O1)(CC(=O)O)C(=O)O)[C@H](CC(C)C)NC(=O)CNC(=O)C2=C(C=CC(=C2)Cl)Cl

Synonyms

  • MLN 9708
  • 4-(carboxymethyl)-2-((R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid
  • Ixazomib Citrate (MLN9708)
  • 4-(carboxymethyl)-2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid
  • ixazomib citrate 1,3,2-dioxaborinane
  • 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 acid, 4-carboxy-2-((1R)-1-((2-((2,5-dichlorobenzoyl)amino)acetyl)amino)-3-methylbutyl)-6-oxo-
  • 4-(carboxymethyl)-2-[(1R)-1-{2-[(2,5-dichlorophenyl)formamido]acetamido}-3-methylbutyl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid
  • Nattokinase?
  • 4-(carboxy
  • 4-(Carboxymethyl)-2-[(R)-1-[2-(2,5-dichlorobenzamido)acetamido]-3-methylbutyl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic Acid
  • MLN-9708, 4-(Carboxymethyl)-2-((R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)-6-oxo-1,3,2-dioxaborinane-4-carboxylic Acid
  • 4-Carboxy-2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-6-oxo-1,3,2-dioxaborinane-4-acetic acid
  • 4-(carboxymethyl)-2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methyl-butyl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid
  • 4-(Carboxymethyl)-2-[(1R)-1-{[N-(2,5-dichlorobenzoyl)glycyl]amino}-3-methylbutyl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid
  • 4-(r,s)-(carboxymethyl)-2-((r)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid
  • 4-(RS)-(carboxymethyl)-2-((R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)-6-oxo-1,3,2-dioxaborinane-4-carboxylic Acid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
517.13 g/molcalc.
Exact mass
516.0874 Dacalc.
LogP (octanol/water)
1.54calc.
Topological polar surface area
168.3 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
10calc.
Heavy atoms
34calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.45calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(CNC(=O)c1ccccc1)NCB1OCCC(=O)O1

O=C(CNC(=O)c1ccccc1)NCB1OCCC(=O)O1

2 rings, 21 atoms.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Mln9708 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 5 suppliers
5 of 5 offers
  • Cangzhou Enke Pharma-tech Co., Ltd.
    China, Cangzhou ManufacturerUnclaimed profile
    Mln9708Grade, purity and minimum order on request
    Price on request
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  • Aceschem Inc
    United States, FriscoUnclaimed profile
    Mln9708Grade, purity and minimum order on request
    Price on request
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  • Axon Medchem
    United States, RestonUnclaimed profile
    Mln9708Grade, purity and minimum order on request
    Price on request
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  • ChemFaces
    China, WuhanUnclaimed profile
    Mln9708Grade, purity and minimum order on request
    Price on request
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  • Excenen Pharmatech Co., Ltd.
    China, GuangzhouUnclaimed profile
    Mln9708Grade, purity and minimum order on request
    Price on request
    View

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

5 suppliers in 2 countries

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Mln9708 price

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Mln9708 is traded under.

HS 2931.90Indicative HS code

Organo-inorganic compounds, other than tetramethyl lead, tetraethyl lead, tributyltin compounds…

World exports in 2024
$3.97B
+5.3% vs 2023, imports $3.93B
2019 to 2024
Top exporters
  1. China28.3%
  2. United States15.6%
  3. Germany15.1%
Top importers
  1. United States14.6%
  2. China13.0%
  3. South Korea8.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Mln9708 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Mln9708, based on the data on this page

What is Mln9708?

Mln9708 is a chemical substance with the molecular formula C20H23BCl2N2O9 and a molar mass of 517.13 g/mol. Its CAS registry number is 1201902-80-8. The IUPAC name is 4-(carboxymethyl)-2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid.

What is the CAS number of Mln9708?

The CAS registry number of Mln9708 is 1201902-80-8.

What is the molecular formula and weight of Mln9708?

The molecular formula of Mln9708 is C20H23BCl2N2O9 and its molar mass is 517.13 g/mol.

What is Mln9708 used for?

Known uses and roles of Mln9708 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Mln9708 hazardous?

No GHS hazard classification for Mln9708 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Mln9708?

Mln9708 is usually classified under HS code 293190 (X. ORGANO-INORGANIC COMPOUNDS, HETEROCYCLIC COMPOUNDS, NUCLEIC ACIDS AND THEIR SALTS…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Mln9708?

CompoundList lists 5 suppliers of Mln9708 in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Mln9708?

Suppliers quote Mln9708 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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