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Screening compounds

Bgc 945

Also known as Idetrexed, CB-300945 (S), alpha-Folate Receptor-targeting Thymidylate Synthase Inhibitor ONX-0801

CAS 501332-69-0Formula C32H33N5O10Molar mass 647.64 g/mol
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Bgc 945 chemical structure, C32H33N5O10, CAS 501332-69-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
501332-69-0
Formula
C32H33N5O10
Molar mass
647.64 g/mol
HS code
293359
Category
Screening compounds

What is Bgc 945?

Plain description, key identifiers and synonyms

BGC 945 is a glutamic acid derivative.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R)-2-[[(4S)-4-carboxy-4-[[4-[[(6S)-2-(hydroxymethyl)-4-oxo-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl]-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid
CAS number
501332-69-0
Molecular formula
C32H33N5O10
UNII
Q718FS1C7X
InChIKey
NVHRBQOZEMFKLD-CUYJMHBOSA-N
InChI
InChI=1S/C32H33N5O10/c1-2-13-37(25-10-5-18-14-24-21(15-20(18)25)30(43)36-26(16-38)33-24)19-6-3-17(4-7-19)29(42)35-23(32(46)47)8-11-27(39)34-22(31(44)45)9-12-28(40)41/h1,3-4,6-7,14-15,22-23,25,38H,5,8-13,16H2,(H,34,39)(H,35,42)(H,40,41)(H,44,45)(H,46,47)(H,33,36,43)/t22-,23+,25+/m1/s1
Canonical SMILES
C#CCN(c1ccc(C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)cc1)C1CCc2cc3nc(CO)[nH]c(=O)c3cc21
Isomeric SMILES
C#CCN([C@H]1CCC2=CC3=C(C=C12)C(=O)NC(=N3)CO)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O

Synonyms

  • Idetrexed
  • CB-300945 (S)
  • alpha-Folate Receptor-targeting Thymidylate Synthase Inhibitor ONX-0801
  • N-(4-(2-Propyn-1-yl((6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta(g)quinazolin-6-yl)amino)benzoyl)-l-gamma-glutamyl-d-glutamic Acid
  • ONX 0801
  • N-(4-{[(6s)-2-(Hydroxymethyl)-4-Oxo-4,6,7,8-Tetrahydro-1h-Cyclopenta[g]quinazolin-6-Yl](Prop-2-Yn-1-Yl)amino}benzoyl)-L-Gamma-Glutamyl-D-Glutamic Acid
  • N-(4-(2-propyn-1-yl(4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta(g)quinazolin-6-yl)amino)benzoyl)-l-gamma-glutamyl-d-glutamic acid
  • CB 300945 (S)
  • ((S)-4-Carboxy-4-(4-(((S)-2-(hydroxymethyl)-4-oxo-4,6,7,8-tetrahydro-1H-cyclopenta[g]quinazolin-6-yl)(prop-2-yn-1-yl)amino)benzamido)butanoyl)-D-glutamic acid
  • D-Glutamic acid, N-(4-(2-propynyl((6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-1H-cyclopenta(g)quinazolin-6-yl)amino)benzoyl)-l-gamma-glutamyl-
  • N-[4-[2-Propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-l-gamma-glutamyl-d-glutamic acid 1

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
647.64 g/molcalc.
Exact mass
647.2227 Dacalc.
LogP (octanol/water)
0.94calc.
Topological polar surface area
239.3 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
15calc.
Heavy atoms
47calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.34calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Fails (2 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, O=c1[nH]cnc2cc3c(cc12)C(Nc1ccccc1)CC3

O=c1[nH]cnc2cc3c(cc12)C(Nc1ccccc1)CC3

4 rings, 21 atoms.

5 other chemicals share 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.

Bgc 945 suppliers

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Bgc 945 price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antineoplastic agent
  • pharmaceutical

Pharmacology

Idetrexed is an alpha-folate receptor (aFR)-mediated inhibitor of thymidylate synthase (TS), with potential antineoplastic activity. Upon intravenous infusion, idetrexed selectively targets and binds to aFR-expressing tumor cells. Upon uptake by aFR, this agent binds to and inhibits TS. This reduces thymine nucleotide synthesis, inhibits both DNA synthesis and cell division, and leads to tumor cell apoptosis. TS catalyzes the conversion of deoxyuridine monophosphate (dUMP) to deoxythymidine monophosphate (dTMP), an essential precursor for DNA synthesis, and plays a key role in cell growth and division. aFR, a cell-surface receptor glycoprotein, is overexpressed on various tumor cell types, but is minimally expressed by normal, healthy tissue.

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 Bgc 945 is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

The HS code shown for Bgc 945 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Bgc 945, based on the data on this page

What is Bgc 945?

BGC 945 is a glutamic acid derivative.

What is the CAS number of Bgc 945?

The CAS registry number of Bgc 945 is 501332-69-0.

What is the molecular formula and weight of Bgc 945?

The molecular formula of Bgc 945 is C32H33N5O10 and its molar mass is 647.64 g/mol.

What is Bgc 945 used for?

Known uses and roles of Bgc 945 include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent and pharmaceutical.

Is Bgc 945 hazardous?

No GHS hazard classification for Bgc 945 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 Bgc 945?

Bgc 945 is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bgc 945?

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What is the price of Bgc 945?

Suppliers quote Bgc 945 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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