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Nucleosides and nucleotides

Cangrelor

Also known as (Dichloromethylene)diphosphonic N-(2-(methylsulfanyl)ethyl)-2-((3,3,3-trifluoropropyl)sulfanyl-5'-adenylic monoanhydride, cangrelorum, N(6)-(2-methylthioethyl)-2-(3,3,3-trifluoropropylthio)-5'-adenylic acid monoanhydride with dichloromethylenebis(phosphonic acid)

CAS 163706-06-7Formula C17H25Cl2F3N5O12P3S2Molar mass 776.37 g/mol
11 suppliers listed Drug substance
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Cangrelor chemical structure, C17H25Cl2F3N5O12P3S2, CAS 163706-06-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
163706-06-7
Formula
C17H25Cl2F3N5O12P3S2
Molar mass
776.37 g/mol
HS code
293499
Category
Nucleosides and nucleotides

What is Cangrelor?

Plain description, key identifiers and synonyms

Cangrelor is a nucleoside triphosphate analogue that is 5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine carrying additional 2-(methylsulfanyl)ethyl and (3,3,3-trifluoropropyl)sulfanyl substituents at positions N6 and C2 respectively. Used (in the form of its tetrasodium salt) as an intravenous antiplatelet drug that prevents formation of harmful blood clots in the coronary arteries. It has a role as a platelet aggregation inhibitor and a P2Y12 receptor antagonist. It is an aryl sulfide, an organochlorine compound, an adenosine 5'-phosphate, an organofluorine compound, a nucleoside triphosphate analogue and a secondary amino compound. It is a conjugate acid of a cangrelor(4-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[dichloro-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid
CAS number
163706-06-7 CAS number cross-checked
Molecular formula
C17H25Cl2F3N5O12P3S2
UNII
6AQ1Y404U7
InChIKey
PAEBIVWUMLRPSK-IDTAVKCVSA-N
InChI
InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/t8-,10-,11-,14-/m1/s1
Canonical SMILES
CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)C(O)C1O
Isomeric SMILES
CSCCNC1=C2C(=NC(=N1)SCCC(F)(F)F)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O)O

Synonyms

  • (Dichloromethylene)diphosphonic N-(2-(methylsulfanyl)ethyl)-2-((3,3,3-trifluoropropyl)sulfanyl-5'-adenylic monoanhydride
  • cangrelorum
  • N(6)-(2-methylthioethyl)-2-(3,3,3-trifluoropropylthio)-5'-adenylic acid monoanhydride with dichloromethylenebis(phosphonic acid)
  • Kengreal
  • Cangrelor free acid
  • AR-C 69931
  • 5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-N-[2-(methylsulfanyl)ethyl]-2-[(3,3,3-trifluoropropyl)sulfanyl]adenosine
  • Cangrelor, Kengreal
  • 163706-06-7 (free acid)
  • Cangrelor free acid?
  • Cangrelor (USAN/INN)
  • ARL 69931MX
  • 5'-Adenylic acid, N-(2-(methylthio)ethyl)-2-((3,3,3-trifluoropropyl)thio)-, monoanhydride with (dichloromethylene)bis(phosphonic acid)
  • 5'-Adenylicacid, N-(2-(methylthio)ethyl)-2-((3,3,3-trifluoropropyl)thio)-, monoanhydride with (dichloromethylene)bis(phosphonic 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
776.37 g/molcalc.
Exact mass
774.9483 Dacalc.
LogP (octanol/water)
2.85calc.
Topological polar surface area
255.9 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
15calc.
Heavy atoms
44calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.71calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Fails (3 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, c1ncc2ncn(C3CCCO3)c2n1

c1ncc2ncn(C3CCCO3)c2n1

3 rings, 14 atoms.

3,221 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.

Cangrelor suppliers

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All 11 suppliers
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Where suppliers are based

11 suppliers in 3 countries

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Cangrelor 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

Platelet Aggregation Inhibitors, Purinergic P2Y Receptor Antagonists.

Pharmacological actions

  • Platelet Aggregation Inhibitors
  • Purinergic P2Y Receptor Antagonists

Roles

  • P2Y12 receptor antagonist
  • antagonist
  • anticoagulant
  • cardiovascular drug
  • hematologic agent
  • pharmaceutical
  • platelet aggregation inhibitor
  • purinergic receptor P2 antagonist

Pharmacology

Cangrelor is a P2Y12 Platelet Inhibitor. The mechanism of action of cangrelor is as a P2Y12 Receptor Antagonist. The physiologic effect of cangrelor is by means of Decreased Platelet Aggregation.

How it is made

Preparation: A. H. Ingall et al., World Intellectual Property Organization patent 9418216 (1994 to Fisons), eidem, United States of America patent 5721219 (1998 to Astra)

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Cangrelor?

Cangrelor is a nucleoside triphosphate analogue that is 5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine carrying additional 2-(methylsulfanyl)ethyl and (3,3,3-trifluoropropyl)sulfanyl substituents at positions N6 and C2 respectively.

What is the CAS number of Cangrelor?

The CAS registry number of Cangrelor is 163706-06-7.

What is the molecular formula and weight of Cangrelor?

The molecular formula of Cangrelor is C17H25Cl2F3N5O12P3S2 and its molar mass is 776.37 g/mol.

What is Cangrelor used for?

Platelet Aggregation Inhibitors, Purinergic P2Y Receptor Antagonists.

Is Cangrelor hazardous?

No GHS hazard classification for Cangrelor 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 Cangrelor?

Cangrelor is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cangrelor?

CompoundList lists 11 suppliers of Cangrelor in China, United States and India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Cangrelor in India?

1 supplier in India list Cangrelor on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Cangrelor?

Suppliers quote Cangrelor 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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