Azd7762
Also known as AZD 7762, Checkpoint kinase inhibitor azd7762, (S)-5-(3-Fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide
Key facts
What buyers check first
- CAS number
- 860352-01-8
- Formula
- C17H19FN4O2S
- Molar mass
- 362.43 g/mol
- EC number
- 804-400-3
- HS code
- 293499
- Category
- Screening compounds
What is Azd7762?
Plain description, key identifiers and synonyms
AZD7762 is a member of the class of thiophenes that is thiophene substituted by N-[(3S)-piperidin-3-yl]aminocarbonyl, carbamoylamino, and 3-fluorophenyl groups at positions 2, 3 and 5, respectively. It is a potent ATP-competitive checkpoint kinase inhibitor (IC50 = 5 nM for Chk1). It has a role as an antineoplastic agent, an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor and an apoptosis inducer. It is a secondary carboxamide, a member of piperidines, a member of thiophenes, a member of ureas, an aromatic amide and a member of monofluorobenzenes.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 3-(carbamoylamino)-5-(3-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
- CAS number
- 860352-01-8 CAS number cross-checkedOther or deprecated CAS: 1019773-80-8, 1246094-78-9
- EC numbers
- 804-400-3, 806-399-5
- Molecular formula
- C17H19FN4O2S
- UNII
- 5D822Y3L1H
- MDL number
- MFCD12406007
- InChIKey
- IAYGCINLNONXHY-LBPRGKRZSA-N
- InChI
- InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
- Canonical SMILES
- NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)NC1CCCNC1
- Isomeric SMILES
- C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N
Synonyms
- AZD 7762
- Checkpoint kinase inhibitor azd7762
- (S)-5-(3-Fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide
- 3-(Carbamoylamino)-5-(3-Fluorophenyl)-N-[(3s)-Piperidin-3-Yl]thiophene-2-Carboxamide
- 860352-01-8 (free base)
- 5-(3-Fluorophenyl)-N-[(3s)-3-Piperidyl]-3-Ureido-Thiophene-2-Carboxamide
- 2-Thiophenecarboxamide, 3-((aminocarbonyl)amino)-5-(3-fluorophenyl)-N-(3S)-3-piperidinyl-
- 2-Thiophenecarboxamide, 3-[(aminocarbonyl)amino]-5-(3-fluorophenyl)-N-(3S)-3-piperidinyl-
- YDJ
- 3-((Aminocarbonyl)amino)-5-(3-fluorophenyl)-N-(3S)-3-piperidinyl-2-thiophenecarboxamide
- Sdccgsbi-0654382.p001
- (S)-5-(3-Fluorophenyl)-N-(3-piperidyl)-3-ureidothiophene-2-carboxamide
- 5-(3-Fluoro-phenyl)-3-ureido-thiophene-2-carboxylic acid (S)-Piperidin-3-ylamide
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 | 362.43 g/molcalc.Computed value |
|---|---|
| Exact mass | 362.1213 Dacalc.Computed value |
| LogP (octanol/water) | 2.53calc.Computed value |
| Topological polar surface area | 96.25 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 4calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 4calc.Computed value |
| Heavy atoms | 25calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.29calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H302Harmful if swallowed.
- H318Causes serious eye damage.
Precautionary statements (9)
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- 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.
- P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P317Get medical help.
- P330Rinse mouth.
- 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 aidAzd7762 suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- United StatesUnclaimed profileAzd7762Grade, purity and minimum order on requestPrice on request
- China, GuangzhouUnclaimed profileAzd7762Grade, purity and minimum order on requestPrice on request
- United States, HopkintonUnclaimed profileAzd7762Grade, purity and minimum order on requestPrice on request
- United States, St. PaulUnclaimed profileAzd7762Grade, purity and minimum order on requestPrice on request
- China, KunshanUnclaimed profileAzd7762Grade, purity and minimum order on requestPrice on request
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
6 suppliers in 2 countries
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Azd7762 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
Industries and functions
Roles
- antineoplastic agent
- apoptosis inducer
- enzyme inhibitor
- pharmaceutical
- protein kinase inhibitor
Pharmacology
Checkpoint Kinase Inhibitor AZD7762 is a synthetic small molecule inhibitor of checkpoint kinases (Chks) with potential chemosensitizing activity. AZD7762 binds to and inhibits Chks, which may prevent cell cycle arrest and subsequent nucleotide excision repair in DNA-damaged tumor cells, resulting in tumor cell apoptosis. This agent may enhance the cytotoxicity of DNA-damaging agents. Chks are protein kinases that regulate either G1/S or G2/M transitions in the cell cycle. In the presence of DNA damage or incomplete DNA replication, Chks become activated and initiate cell cycle arrest to allow DNA repair or the completion of DNA replication.
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 Azd7762 is traded under.
Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934
- United States24.5%
- Germany23.1%
- Japan4.5%
The HS code shown for Azd7762 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Azd7762, based on the data on this page
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Guides for buyers
Practical guides that help when you source, ship or handle Azd7762
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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