Chetomin - ≥98% , CAS No.1403-36-7

CAS: 1403-36-7 Cat. No.: C276197 Molecular Weight: 712.87 EC Number: 686-931-9
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
14-(Hydroxymethyl)-3-[3-[[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]octan-1-yl]methyl]indol-1-yl]-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione | AKOS040759040 |
Storage
Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
C276197-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$365.90
5mg
C276197-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,271.90

$1,647.90
Save $376.00 (22.82%)
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Desiccated 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.

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Literature proof

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

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms
14-(Hydroxymethyl)-3-[3-[[4-(hydroxymethyl)-5, 7-dimethyl-6, 8-dioxo-2, 3-dithia-5, 7-diazabicyclo[2.2.2]octan-1-yl]methyl]indol-1-yl]-18-methyl-15, 16-dithia-10, 12, 18-triazapentacyclo[12.2.2.01, 12.03, 11.04, 9]octadeca-4, 6, 8-triene-13, 17-dione | AKOS040759040 |
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Potent HIF signaling inhibitor. Reduces CA9 and VEGF expression in hypoxic cells (IC 50 = 10 nM, secreted VEGF, Hep38 cells). Shows antibacterial and antifungal effects. Shows antitumor effects in vivo.
Storage
Store at -20°C, Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Purity
≥98%
Names and Identifiers
Canonical SmilesCN1C(=O)C2(N(C(=O)C1(SS2)CC3=CN(C4=CC=CC=C43)C56CC78C(=O)N(C(C(=O)N7C5NC9=CC=CC=C69)(SS8)CO)C)C)CO
IUPAC Name(1S,3S,11R,14S)-14-(hydroxymethyl)-3-[3-[[(1S,4S)-4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]octan-1-yl]methyl]indol-1-yl]-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione
InChIKeyZRZWBWPDBOVIGQ-YWZWRZHGSA-N
INCHI1S/C31H30N6O6S4/c1-33-25(42)30(15-38)34(2)23(40)28(33,44-46-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,47-45-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3/t22-,27+,28+,29+,30+,31+/m1/s1
Isomeric SMILES CN1C(=O)[C@]2(N(C(=O)[C@@]1(SS2)CC3=CN(C4=CC=CC=C43)[C@]56C[C@]78C(=O)N([C@](C(=O)N7[C@H]5NC9=CC=CC=C69)(SS8)CO)C)C)CO
Molecular Weight 712.87
Reaxy-Rn 1070881
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1070881&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
ClassIndoles and derivatives
SubclassPyrroloindoles
Intermediate Tree Nodes Not available
Direct ParentPyrroloindoles
Alternative Parents 3-alkylindoles  Alpha amino acids and derivatives  N-alkylindoles  Epipolythiodioxopiperazines  Indolines  N-methylpiperazines  Substituted pyrroles  Benzenoids  Dithiazinanes  Tertiary carboxylic acid amides  Pyrrolidines  Heteroaromatic compounds  Organic disulfides  Lactams  Carbonyl compounds  Primary alcohols  Amines  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Pyrroloindole - Alpha-amino acid or derivatives - Epipolythiodioxopiperazine - N-alkylindole - 3-alkylindole - Indole - Dihydroindole - Thiodioxopiperazine - Dioxopiperazine - 2,5-dioxopiperazine - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Dithiazinane - Piperazine - Substituted pyrrole - Benzenoid - Pyrrolidine - Pyrrole - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Organic disulfide - Lactam - Azacycle - Carboxylic acid derivative - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Primary alcohol - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
EHMT2 Tchem Histone-lysine N-methyltransferase EHMT2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SUV39H1 Tchem Histone-lysine N-methyltransferase SUV39H1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
U-251 (51189 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-87 MG (3946 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GAMG (120 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SUV39H1 Tchem Histone-lysine N-methyltransferase SUV39H1 (101 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aspergillus niger (16508 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bacillus subtilis (32866 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Saccharomyces cerevisiae (19171 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Fusarium oxysporum f. sp. vasinfectum (242 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Fusarium graminearum (1554 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
SolubilitySoluble in DMSO
Molecular Weight710.900 g/mol
XLogP31.900
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass710.111 Da
Monoisotopic Mass710.111 Da
Topological Polar Surface Area240.000 Ų
Heavy Atom Count47
Formal Charge0
Complexity1460.000
Isotope Atom Count0
Defined Atom Stereocenter Count6
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
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