RAD51-IN-1 - ≥99% , CAS No.2101739-18-6

CAS: 2101739-18-6 Cat. No.: R649900 Molecular Weight: 373.8 PubChem CID: 53245568
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
R649900-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$82.90

$124.90
Save $42.00 (33.63%)
10mg
R649900-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$147.90

$221.90
Save $74.00 (33.35%)
25mg
R649900-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$251.90

$377.90
Save $126.00 (33.34%)
50mg
R649900-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$426.90

$640.90
Save $214.00 (33.39%)
100mg
R649900-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$768.90

$1,153.90
Save $385.00 (33.37%)
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 -20°C Ships Ice chest + Ice pads 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

RAD51-IN-1, a derivative of  B02, is a potent inhibitor of RAD51. RAD51-IN-1 can be used for cancer research.

In Vitro

RAD51 is a vital component of the homologous recombination DNA repair pathway and is overexpressed in drug-resistant cancers, including aggressive triple-negative breast cancer (TNBC). RAD51-IN-1 (10 μM) decreases the ratio of RAD51 positive cells/cH2AX positive cells in MDA-MB-231 cell exposure to 6 Gy irradiation. RAD51-IN-1 (10 μM) significantly inhibits DNA damage induced RAD51 foci formation with 6 Gy irradiation. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
RAD51-IN-1, a derivative of xa0B02, is a potent inhibitor of RAD51 . RAD51-IN-1 can be used for cancer research.
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥99%
Names and Identifiers
Canonical SmilesC1=CC=C2C(=C1)C(=O)N(C(=N2)C=CC3=CN=CC=C3)CC4=CC=C(C=C4)Cl
IUPAC Name3-[(4-chlorophenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
InChIKeyAQNDWTVLZSMOQU-FMIVXFBMSA-N
INCHI1S/C22H16ClN3O/c23-18-10-7-17(8-11-18)15-26-21(12-9-16-4-3-13-24-14-16)25-20-6-2-1-5-19(20)22(26)27/h1-14H,15H2/b12-9+
Isomeric SMILES C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CN=CC=C3)CC4=CC=C(C=C4)Cl
PubChem CID 53245568
Molecular Weight 373.8

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
SuperclassOrganoheterocyclic compounds
ClassDiazanaphthalenes
SubclassBenzodiazines
Intermediate Tree Nodes Not available
Direct ParentQuinazolines
Alternative Parents Pyrimidones  Chlorobenzenes  Pyridines and derivatives  Aryl chlorides  Heteroaromatic compounds  Lactams  Azacyclic compounds  Organooxygen compounds  Organonitrogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Quinazoline - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HK1 Tchem Hexokinase type I (266 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF-10A (2462 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-468 (9477 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hs-578T (29457 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BT-549 (31254 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCC1937 (423 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HKDC1 Tbio Putative hexokinase HKDC1 (676 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAD51 Tchem DNA repair protein RAD51 homolog 1 (504 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-436 (532 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 : 62.5 mg/mL (167.19 mM; Need ultrasonic)
Molecular Weight373.800 g/mol
XLogP34.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass373.098 Da
Monoisotopic Mass373.098 Da
Topological Polar Surface Area45.600 Ų
Heavy Atom Count27
Formal Charge0
Complexity582.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
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.