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ML291 , CAS No.1523437-16-2

CAS: 1523437-16-2 Cat. No.: M646804 Molecular Weight: 413.83 EC Number: 808-922-2 PubChem CID: 52940465
COA
ML291 - CAS No(1523437-16-2) by Aladdin Scientific
AVAILABLE TO ORDER
Synonyms
1523437-16-2 | MLS003940499 | AKOS037643523 | KSC-220-24-1 | KUC109671N | cl-cob-III-194 | YKC43716 | KSC-325-040 | XKMLYHZJKCRLOI-UHFFFAOYSA-N | AS-16755 | HY-101991 | N-(4-((4-chloropiperidin-1-yl)sulfonyl)phenyl)-5-nitrofuran-2-carboxamide | SMR0026327
Storage
Store at 2-8°C
Shipped In
Wet ice
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Size
Status
Price
Qty
5mg
M646804-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$240.90
10mg
M646804-10mg
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$380.90
25mg
M646804-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$760.90
50mg
M646804-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,240.90
100mg
M646804-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,960.90
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C 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

ML291 is a UPR (unfolded protein response)-inducing sulfonamidebenzamide. ML291 overwhelms the adaptive capacity of the UPR and induces apoptosis in a variety of solid cancer models. ML291 can activate the PERK/eIF2a/CHOP (apoptotic) arm of the UPR and reduce leukemic cell burden.

Form:Solid

Specifications

Synonyms
1523437-16-2 | MLS003940499 | AKOS037643523 | KSC-220-24-1 | KUC109671N | cl-cob-III-194 | YKC43716 | KSC-325-040 | XKMLYHZJKCRLOI-UHFFFAOYSA-N | AS-16755 | HY-101991 | N-(4-((4-chloropiperidin-1-yl)sulfonyl)phenyl)-5-nitrofuran-2-carboxamide | SMR0026327
Biochemical and Physiological Mechanisms
ML291 is a UPR (unfolded protein response)-inducing sulfonamidebenzamide. ML291 overwhelms the adaptive capacity of the UPR and induces apoptosis in a variety of solid cancer models. ML291 can activate the PERK/eIF2a/CHOP (apoptotic) arm of the UPR and re
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
ACTIVATOR
Names and Identifiers
Canonical SmilesC1CN(CCC1Cl)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]
IUPAC NameN-[4-(4-chloropiperidin-1-yl)sulfonylphenyl]-5-nitrofuran-2-carboxamide
InChIKeyXKMLYHZJKCRLOI-UHFFFAOYSA-N
INCHI1S/C16H16ClN3O6S/c17-11-7-9-19(10-8-11)27(24,25)13-3-1-12(2-4-13)18-16(21)14-5-6-15(26-14)20(22)23/h1-6,11H,7-10H2,(H,18,21)
Isomeric SMILES C1CN(CCC1Cl)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]
WGK Germany 3
PubChem CID 52940465
Molecular Weight 413.83

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassAnilides
Intermediate Tree Nodes Aromatic anilides - Furanilides
Direct Parent2-furanilides
Alternative Parents Benzenesulfonamides  Benzenesulfonyl compounds  2-heteroaryl carboxamides  Furoic acid and derivatives  Nitroaromatic compounds  Nitrofurans  Piperidines  Organosulfonamides  Sulfonyls  Heteroaromatic compounds  Secondary carboxylic acid amides  Organic oxoazanium compounds  Oxacyclic compounds  Propargyl-type 1,3-dipolar organic compounds  Azacyclic compounds  Organic zwitterions  Organic salts  Organic oxides  Organooxygen compounds  Organopnictogen compounds  Hydrocarbon derivatives  Alkyl chlorides  Organochlorides  Organonitrogen compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 2-furanilide - Benzenesulfonamide - Benzenesulfonyl group - 2-heteroaryl carboxamide - Furoic acid or derivatives - Nitroaromatic compound - 2-nitrofuran - Piperidine - Organosulfonic acid amide - Furan - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - Alkyl halide - Alkyl chloride - Organic oxide - Organic nitrogen compound - Organic zwitterion - Organic salt - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 2-furanilides. These are aromatic heterocyclic compounds contaning a furan ring that is substituted at the 2-position with an anilide.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
DDIT3 Tchem DNA damage-inducible transcript 3 protein (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SLC6A3 Tclin Dopamine transporter (10535 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IMR-90 (216 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver (3974 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
XBP1 Tchem X-box-binding protein 1 (1001 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Trypanosoma brucei (78846 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Leishmania amazonensis (3813 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MEF (1005 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ddit3 DNA damage-inducible transcript 3 protein (953 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsome (341 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 : ≥ 50 mg/mL (120.82 mM)
Molecular Weight413.800 g/mol
XLogP32.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass413.045 Da
Monoisotopic Mass413.045 Da
Topological Polar Surface Area134.000 Ų
Heavy Atom Count27
Formal Charge0
Complexity648.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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