Iclaprim - Moligand™, ≥95% , Bacterial dihydrofolate reductase inhibitor, CAS No.192314-93-5, Bacterial dihydrofolate reductase inhibitor

CAS: 192314-93-5 Cat. No.: I333706 Molecular Weight: 354.40 EC Number: 606-269-6
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%
Synonyms
5-((2-Cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl)pyrimidine-2,4-diamine | FT-0670272 | GTPL10820 | DTXSID70870191 | ICLAPRIM [MI] | MFCD09837803 | BCP04499 | J-515882 | A835145 | FT-0670271 | Iclaprim | Ro-482622 | RO-48-2622 | AR-100AR-100 | 5-{[(2
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
I333706-1mg
1
$219.90
5mg
I333706-5mg
1
$719.90
10mg
I333706-10mg
1
$1,019.90
25mg
I333706-25mg
1
$1,639.90
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥95% Moligand™ 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.

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Quality documents

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

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Literature proof

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

Overview

Iclaprim (AR-100) is a novel specific bacterial Dihydrofolate inhibitor. It can inhibit the growth of S. aureus (MIC90: 0.06 μg/mL).

Specifications

Synonyms
5-((2-Cyclopropyl-7, 8-dimethoxy-2H-chromen-5-yl)methyl)pyrimidine-2, 4-diamine | FT-0670272 | GTPL10820 | DTXSID70870191 | ICLAPRIM [MI] | MFCD09837803 | BCP04499 | J-515882 | A835145 | FT-0670271 | Iclaprim | Ro-482622 | RO-48-2622 | AR-100AR-100 | 5-{[(2
Specifications & Purity
Moligand™, ≥95%
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.
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Bacterial dihydrofolate reductase inhibitor
Purity
≥95%
Product Properties
ALogP2.5
Names and Identifiers
Canonical SmilesCOC1=C(C2=C(C=CC(O2)C3CC3)C(=C1)CC4=CN=C(N=C4N)N)OC
IUPAC Name5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine
InChIKeyHWJPWWYTGBZDEG-UHFFFAOYSA-N
INCHI1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)
Isomeric SMILES COC1=C(C2=C(C=CC(O2)C3CC3)C(=C1)CC4=CN=C(N=C4N)N)OC
Molecular Weight 354.40
Reaxy-Rn 9951587
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9951587&ln=

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
ClassBenzopyrans
Subclass1-benzopyrans
Intermediate Tree Nodes Not available
Direct Parent1-benzopyrans
Alternative Parents Anisoles  Aminopyrimidines and derivatives  Alkyl aryl ethers  Imidolactams  Heteroaromatic compounds  Oxacyclic compounds  Azacyclic compounds  Primary amines  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1-benzopyran - Anisole - Alkyl aryl ether - Aminopyrimidine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Oxacycle - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
DHFR Tclin Dihydrofolate reductase (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
DHFR Tclin Dihydrofolate reductase (3072 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Streptococcus pneumoniae (31063 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Moraxella catarrhalis (3334 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Haemophilus influenzae (8812 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Streptococcus agalactiae (1777 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Enterococcus faecium (13803 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Enterococcus faecalis (29875 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Enterococcus sp. (726 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Streptococcus sp. 'group A' (3417 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Streptococcus sp. 'group B' (533 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Serum (58 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:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot NumberCertificate TypeDateItem
G2419095Certificate of AnalysisApr 18, 2024 I333706
G2419096Certificate of AnalysisApr 18, 2024 I333706
G2419097Certificate of AnalysisApr 18, 2024 I333706
G2419098Certificate of AnalysisApr 18, 2024 I333706
G2419099Certificate of AnalysisApr 18, 2024 I333706
G2419100Certificate of AnalysisApr 18, 2024 I333706
G2419101Certificate of AnalysisApr 18, 2024 I333706
G2419111Certificate of AnalysisApr 18, 2024 I333706
Chemical and Physical Properties
Molecular Weight354.400 g/mol
XLogP32.500
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass354.169 Da
Monoisotopic Mass354.169 Da
Topological Polar Surface Area106.000 Ų
Heavy Atom Count26
Formal Charge0
Complexity515.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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