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Screening compounds

Brivanib alaninate

Also known as BMS 582664, alaninati brivanibum, alaninate de brivanib

CAS 649735-63-7Formula C22H24FN5O4Molar mass 441.46 g/molEC 639-686-7
GHS signal word: Danger. Pictograms: Harmful or irritant, Serious health hazard 10 suppliers listed
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Brivanib alaninate chemical structure, C22H24FN5O4, CAS 649735-63-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
649735-63-7
Formula
C22H24FN5O4
Molar mass
441.46 g/mol
EC number
639-686-7
HS code
293399
Category
Screening compounds

What is Brivanib alaninate?

Plain description, key identifiers and synonyms

Brivanib alaninate is a carboxylic ester resulting from the formal condensation of the carboxy group of L-alanine with the hydroxy group of brivanib. It is a prodrug of brivanib (BMS-540215), a potent oral dual inhibitor of VEGFR-2 and FGFR-1 (IC50 of 25 nM and 148 nM, respectively) and was in development for the treatment of hepatocellular and colon carcinomas. It has a role as an antineoplastic agent, an angiogenesis inhibitor, a prodrug, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor, a fibroblast growth factor receptor antagonist and an apoptosis inducer. It is a fluoroindole, a carboxylic ester, an aromatic ether, a diether, a L-alanine derivative and a pyrrolotriazine. It is functionally related to a brivanib.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] (2S)-2-aminopropanoate
CAS number
649735-63-7 CAS number cross-checked
EC number
639-686-7
Molecular formula
C22H24FN5O4
UNII
U2Y5OFN795
InChIKey
LTEJRLHKIYCEOX-OCCSQVGLSA-N
InChI
InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14+/m1/s1
Canonical SMILES
Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)OC(=O)C(C)N)c(C)c34)ccc2[nH]1
Isomeric SMILES
CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)OC(=O)[C@H](C)N)C

Synonyms

  • BMS 582664
  • alaninati brivanibum
  • alaninate de brivanib
  • alaninato de brivanib
  • Brivanib l-alanine ester
  • (2R)-1-({4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl}oxy)propan-2-yl (2S)-2-aminopropanoate
  • L-Alanine, (1R)-2-((4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-5-methylpyrrolo(2,1-f)(1,2,4)triazin-6-yl)oxy)-1-methylethyl ester
  • (2R)-1-({4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl}oxy)propan-2-yl L-alaninate
  • (2R)-1-((4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-5-methylpyrrolo(2,1-f)(1,2,4)triazin-6-yl)oxy)propan-2-yl (2S)-2-aminopropanoate
  • (2R)-1-((4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-5-methylpyrrolo(2,1-f)(1,2,4)triazin-6-yl)oxy)propan-2-yl L-alaninate
  • Brivanib alaninate (BMS-582664)
  • Brivanib (alaninate)
  • brivanib alinate
  • [(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] (2S)-2-aminopropanoate
  • Brivanib alaninate (JAN/USAN/INN)
  • (R)-(S)-1-((4-((4-Fluoro-2-methyl-1H-indol-5-yl)oxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)oxy)propan-2-yl 2-aminopropanoate
  • (R)-1-((4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)oxy)propan-2-yl L-alaninate
  • Brivanib alaninateBMS-582664
  • Brivanib-alaninate
  • Brivanib alaninate - BMS-582664
  • Brivanib alaninate,BMS-582664
  • Sdccgsbi-0654443.p001
  • [(1R)-2-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl]oxy-1-methyl-ethyl] (2S)-2-aminopropanoate
  • (1R)-2-((4-((4-Fluoro-2-methyl-1H-indol-5-yl)oxy)-5-methylpyrrolo(2,1- f)(1,2,4)triazin-6-yl)oxy)-1-methylethyl (2S)-2-aminopropanoate
  • (1R)-2-[[4-[(4-Fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxy]-1-methylethyl (2S)-2-aminopropanoate
Show all 29 synonyms
  • (1R,2S)-2-aminopropionic acid 2-[4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy]-1-methylethyl ester
  • (S)-((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[1,2-f][1,2,4]triazin-6-yloxy)propan-2-yl) 2-aminopropanoate
  • [(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[5,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] (2S)-2-aminopropanoate
  • L-Alanine, (1R)-2-((4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-5- methylpyrrolo(2,1-f)(1,2,4)triazin-6-yl)oxy)-1-methylethyl ester

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
441.46 g/molcalc.
Exact mass
441.1812 Dacalc.
LogP (octanol/water)
3.42calc.
Topological polar surface area
116.8 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
7calc.
Heavy atoms
32calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.32calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (0 violations)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, c1cc2c(Oc3ccc4[nH]ccc4c3)ncnn2c1

c1cc2c(Oc3ccc4[nH]ccc4c3)ncnn2c1

4 rings, 19 atoms.

17 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H302Harmful if swallowed.
  • H360May damage fertility or the unborn child.
  • H361Suspected of damaging fertility or the unborn child.
  • H373May cause damage to organs through prolonged or repeated exposure.
Precautionary statements (11)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P330Rinse mouth.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Brivanib alaninate suppliers

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10 suppliers in 3 countries

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Brivanib alaninate price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • angiogenesis inhibitor
  • antagonist
  • antineoplastic agent
  • apoptosis inducer
  • enzyme inhibitor
  • fibroblast growth factor receptor antagonist
  • pharmaceutical
  • pro-agent
  • prodrug
  • protein kinase inhibitor
  • tyrosine kinase inhibitor

Pharmacology

Brivanib Alaninate is the alaninate salt of a vascular endothelial growth factor receptor 2 (VEGFR2) inhibitor with potential antineoplastic activity. Brivanib strongly binds to and inhibits VEGFR2, a tyrosine kinase receptor expressed almost exclusively on vascular endothelial cells, inhibition of VEGFR2 may result in inhibition of tumor angiogenesis, inhibition of tumor cell growth, and tumor regression.

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 Brivanib alaninate is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Brivanib alaninate, based on the data on this page

What is Brivanib alaninate?

Brivanib alaninate is a carboxylic ester resulting from the formal condensation of the carboxy group of L-alanine with the hydroxy group of brivanib.

What is the CAS number of Brivanib alaninate?

The CAS registry number of Brivanib alaninate is 649735-63-7.

What is the molecular formula and weight of Brivanib alaninate?

The molecular formula of Brivanib alaninate is C22H24FN5O4 and its molar mass is 441.46 g/mol.

What is Brivanib alaninate used for?

Known uses and roles of Brivanib alaninate include building blocks in research and laboratory, screening compounds in research and laboratory, angiogenesis inhibitor, antagonist, antineoplastic agent and 8 more.

Is Brivanib alaninate hazardous?

Brivanib alaninate carries the GHS signal word "Danger". Main hazards: harmful if swallowed, may damage fertility or the unborn child, suspected of damaging fertility or the unborn child. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Brivanib alaninate?

Brivanib alaninate is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Brivanib alaninate?

CompoundList lists 10 suppliers of Brivanib alaninate in China, United States and Czech Republic. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Brivanib alaninate?

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

Guides for buyers

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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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