Cndac
Also known as Radgocitabine, 2'-cyano-2'-deoxy-1-(beta-D-arabinofuranosyl)cytosine, 1-(2-deoxy-2-cyano-beta-D-arabinofuranosyl)cytosine
Key facts
What buyers check first
- CAS number
- 135598-68-4
- Formula
- C10H12N4O4
- Molar mass
- 252.23 g/mol
- HS code
- 293499
- Category
- Heterocyclic building blocks
What is Cndac?
Plain description, key identifiers and synonyms
CNDAC is a pyrimidine 2'-deoxyribonucleoside that is 2'-deoxycytidine having a cyano group in the 2'-position. It is the active metabolite of the anti-cancer drug, sapacitabine which is currently in clinical development for the treatment of hematologic malignancies and solid tumors. It has a role as an antineoplastic agent, a drug metabolite and a DNA synthesis inhibitor. It is a nitrile and a pyrimidine 2'-deoxyribonucleoside.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (2R,3S,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolane-3-carbonitrile
- CAS number
- 135598-68-4 CAS number cross-checked
- Molecular formula
- C10H12N4O4
- UNII
- 00M634HD2V
- InChIKey
- DCYBPMFXJCWXNB-JWIUVKOKSA-N
- InChI
- InChI=1S/C10H12N4O4/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,4H2,(H2,12,13,17)/t5-,6+,8-,9+/m0/s1
- Canonical SMILES
- N#CC1C(O)C(CO)OC1n1ccc(N)nc1=O
- Isomeric SMILES
- C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)C#N
Synonyms
- Radgocitabine
- 2'-cyano-2'-deoxy-1-(beta-D-arabinofuranosyl)cytosine
- 1-(2-deoxy-2-cyano-beta-D-arabinofuranosyl)cytosine
- 4-amino-1-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one
- 2'-C-cyano-2'-deoxy-1-beta-D-arabino-pentofuranosyl-cytosine
- 2(1H)-pyrimidinone, 4-amino-1-(2-cyano-2-deoxy-beta-d-arabinofuranosyl)-
- Nucleoside Analog DFP-10917
- (2R,3S,4S,5R)-2-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolane-3-carbonitrile
- 2'-C-cyano-2'-deoxy-1-beta-D-arabino-pentofuranosylcytosine
- (2R,3S,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolane-3-carbonitrile
- (2R,3S,4S,5R)-2-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-carbonitrile
- TAS 109
- CNDAC?
- 2'-Cyano-2'-deoxy-1-(b-D-arabinofuranosyl)cytosine
- 4-Amino-L-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)- 2(1H)-pyrimidinone
- 1-(2-c-cyano-2-deoxy-beta-d-arabino-pentofuranosyl) cytosine
- 4-Amino-1-(2-cyano-2-deoxy-|A-D-arabinofuranosyl)-2(1H)-pyrimidinone
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 | 252.23 g/molcalc.Computed value |
|---|---|
| Exact mass | 252.0859 Dacalc.Computed value |
| LogP (octanol/water) | -1.78calc.Computed value |
| Topological polar surface area | 134.4 Ųcalc.Computed value |
| Hydrogen bond donors | 3calc.Computed value |
| Hydrogen bond acceptors | 7calc.Computed value |
| Rotatable bonds | 2calc.Computed value |
| Heavy atoms | 18calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.5calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 4calc.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
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.
Cndac suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, HangzhouUnclaimed profileCndacGrade, 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
1 supplier in 1 country
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Cndac price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Roles
- DNA synthesis inhibitor
- animal metabolite
- antineoplastic agent
- drug metabolite
- enzyme inhibitor
- eukaryotic metabolite
- human metabolite
- human xenobiotic metabolite
- mammalian metabolite
- metabolite
- pathway inhibitor
- pharmaceutical
- xenobiotic metabolite
Pharmacology
Radgocitabine is an analogue of the nucleoside deoxycytidine with potential antineoplastic activity. Upon administration, radgocitabine is incorporated into DNA and directly inhibits the activity of DNA polymerase, which may result in inhibition of DNA replication and cell cycle arrest in the S and G2/M phases, DNA fragmentation, and tumor cell apoptosis.
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 Cndac 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 Cndac is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Cndac, based on the data on this page
What is Cndac?
What is the CAS number of Cndac?
What is the molecular formula and weight of Cndac?
What is Cndac used for?
Is Cndac hazardous?
What is the HS code of Cndac?
Where can I buy Cndac?
What is the price of Cndac?
Guides for buyers
Practical guides that help when you source, ship or handle Cndac
- 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
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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