CNDAC hydrochloride - ≥99% , CAS No.134665-72-8

CAS: 134665-72-8 Cat. No.: C650629 Molecular Weight: 288.69 PubChem CID: 3035200
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
CNDAC MONOHYDROCHLORIDE | RADGOCITABINE HYDROCHLORIDE | (2R,3S,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolane-3-carbonitrile;hydrochloride | 2/'-Cyano-2/'-deoxyarabinofuranosylcytosine | 2'-Cyano-2'-deoxyarabinofuranosylcytosine
Storage
Store at 2-8°C,Desiccated
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
C650629-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$700.90
10mg
C650629-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,100.90
50mg
C650629-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$3,300.90
100mg
C650629-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$4,500.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

CNDAC hydrochloride is a metabolite of the orally active agent Sapacitabine , and a nucleoside analog. CNDAC hydrochloride induces DNA damage and apoptosis.

In Vitro

CNDAC has a unique mechanism of action: after incorporation into DNA, it induces single-strand breaks (SSBs) that are converted into double-strand breaks (DSBs) when cells go through a second S phase. Lack of Rad51D and XRCC3 sensitizes cells to CNDAC (0-1 μM; 24 h). CNDAC (0-100 μM; 3 days) inhibits proliferation of HL-60 and THP-1 cells. CNDAC (0-10 μM; 3-6 days) induces apoptosis in HL-60 and THP-1 cells. CNDAC (6 μM; 48 h) induces cell cycle arrest in the G2 phase following a delayed S phase in HCT116 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: Rad51D-deficient 51D1, Rad51D-complemented 51D1.3, wild-type AA8 and XRCC3-deficient irs1SF CHO cells Concentration: 0-1 μM Incubation Time: 24 h Result: Inhibited cell survival with IC 50 s of 0.006, 0.32, 0.48 and 0.0053 μM against Rad51D-deficient 51D1, Rad51D-complemented 51D1.3, wild-type AA8 and XRCC3-deficient irs1SF cell lines, respectively. Cell Proliferation AssayCell Line: HL-60 and THP-1 cells Concentration: 0-100 μM Incubation Time: 3 days Result: Inhibited proliferation with IC 50 s of 1.5832 μM and 0.84 μM against HL-60 and THP-1 cells, respectively. Apoptosis AnalysisCell Line: HL-60 and THP-1 cells Concentration: 0, 0.5, 1, 2, 3, 4, 5 and 10 μM Incubation Time: 3, 4, 5, and 6 days Result: Induced apoptosis in both cells. Cell Cycle AnalysisCell Line: HCT116 Concentration: 6 μM Incubation Time: 48 h Result: 36 and 36% of cells were arrested in late-S and G2/M phases, respectively.

In Vivo

CNDAC (20mg/kg; i.p.; daily for 10 days) shows antitumor activity in mice. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: CDF1 mice, P388 tumor modelDosage: 20 mg/kg Administration: Intraperitoneal injection, daily for 10 days Result: Greatly increased the survival time and survival rate.

Form:Solid

Specifications

Synonyms
CNDAC MONOHYDROCHLORIDE | RADGOCITABINE HYDROCHLORIDE | (2R, 3S, 4S, 5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolane-3-carbonitrile;hydrochloride | 2/'-Cyano-2/'-deoxyarabinofuranosylcytosine | 2'-Cyano-2'-deoxyarabinofuranosylcytosine
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
CNDAC hydrochloride is a metabolite of the orally active agent Sapacitabine ( HY-16445 ), and a nucleoside analog. CNDAC hydrochloride induces DNA damage and apoptosis.
Storage
Store at 2-8°C, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Purity
≥99%
Names and Identifiers
Canonical SmilesC1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)C#N.Cl
IUPAC Name(2R,3S,4S,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolane-3-carbonitrile;hydrochloride
InChIKeyPKGUOXDXRLGZBN-KUAPJGQRSA-N
INCHI1S/C10H12N4O4.ClH/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);1H/t5-,6+,8-,9+;/m0./s1
Isomeric SMILES C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)C#N.Cl
Alternate CAS 134665-72-8
PubChem CID 3035200
MeSH Entry Terms 2'-cyano-2'-deoxyarabinofuranosylcytosine;2'-cyano-2'deoxy-1-beta-D-arabinofuranosylcytosine;CNDAC
Molecular Weight 288.69

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassNucleosides, nucleotides, and analogues
ClassPyrimidine nucleosides
SubclassPyrimidine 2'-deoxyribonucleosides
Intermediate Tree Nodes Not available
Direct ParentPyrimidine 2'-deoxyribonucleosides
Alternative Parents Pyrimidones  Aminopyrimidines and derivatives  Imidolactams  Hydropyrimidines  Oxolanes  Heteroaromatic compounds  Secondary alcohols  Oxacyclic compounds  Nitriles  Azacyclic compounds  Primary amines  Primary alcohols  Organic oxides  Hydrochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Pyrimidine 2'-deoxyribonucleoside - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Pyrimidine - Imidolactam - Oxolane - Heteroaromatic compound - Secondary alcohol - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Primary amine - Primary alcohol - Cyanide - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Hydrochloride - Organic oxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. These are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
A-375 (9258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
COLO 320 (353 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HOS-TE85 (154 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-1080 (3966 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MKN-45 (2102 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OST (42 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
QG-95 (4 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SW48 (312 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ST-KM-1 (10 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KATO III stomach cancer cell line (114 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KKLS (8 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-13 (18 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-8 (13 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
L1210 (27553 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 125 mg/mL (432.99 mM; Need ultrasonic)
Molecular Weight288.690 g/mol
XLogP3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass288.063 Da
Monoisotopic Mass288.063 Da
Topological Polar Surface Area132.000 Ų
Heavy Atom Count19
Formal Charge0
Complexity466.000
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Solution Calculators
Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.