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Subasumstat (TAK-981) - 98%, high purity , CAS No.1858276-04-6

COA COA
In stock
Item Number
S414205
Grouped product items
SKU Size
Availability
 Price Qty
S414205-1mg
1mg
3
$42.90
S414205-5mg
5mg
3
$149.90
S414205-10mg
10mg
1
$239.90
S414205-25mg
25mg
1
$453.90
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SUMO Inhibitors

View related series
Amino Acid/Protein Metabolism (1836) E1/E2/E3 Enzyme (112) Metabolic Enzyme/Protease (4860)

Basic Description

Synonyms [(1R,2S,4R)-4-{[5-({4-[(1R)-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methyl-2- thienyl}carbonyl)pyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl sulfamate | LXRZVMYMQHNYJB-UNXOBOICSA-N | Sumoylation inhibitor TAK-981 | SUBASUMSTAT [WHO-DD] | 185827
Specifications & Purity Moligand™, ≥98%
Biochemical and Physiological Mechanisms Subasumstat (TAK-981) is a novel, selective inhibitor of the SUMOylation enzymatic cascade with potential immune-activating and antineoplastic activities.
Storage Temp 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™
Product Description

Information

Subasumstat (TAK-981) Subasumstat (TAK-981) is a novel, selective inhibitor of the SUMOylation enzymatic cascade with potential immune-activating and antineoplastic activities.


Targets

SUMOylation enzymatic cascade


In vitro

In both mouse bone-marrow and human peripheral blood mononuclear cell derived dendritic cells (DCs), TAK-981 treatment ex vivo induced markers of activation and maturation including CD40, CD80 and CD86, as well as increased secretion of inflammatory cytokines like IP-10, MCP1, MIP-1α, MIP1β, IFNα and IFNβ.


In vivo

a single sub-cutaneous injection of TAK-981 in naïve Balb/c mice at the brachial lymph nodes induced activation of DCs, measured as significant increases in CD40 and CD86 expression. TAK-981 demonstrates antitumor activity, including complete regression (CR) of some tumors, in immune-competent BALB/c mice bearing syngeneic A20 lymphoma tumors.


Cell Research(from reference)

Cell lines：mouse bone-marrow and human peripheral blood mononuclear cell derived dendritic cells (DCs) 

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Tetrahydroisoquinolines
Subclass Not available
Intermediate Tree Nodes Not available
Direct Parent Tetrahydroisoquinolines
Alternative Parents Pyrimidinecarboxylic acids and derivatives  Thiophene carboxylic acids and derivatives  Aryl ketones  2,3,5-trisubstituted thiophenes  Secondary alkylarylamines  Aralkylamines  Aminopyrimidines and derivatives  Imidolactams  Cyclopentanols  Benzenoids  Aryl chlorides  Vinylogous amides  Organic sulfuric acids and derivatives  Heteroaromatic compounds  Cyclic alcohols and derivatives  Dialkylamines  Azacyclic compounds  Organopnictogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Tetrahydroisoquinoline - Pyrimidine-5-carboxylic acid or derivatives - Aryl ketone - 2,3,5-trisubstituted thiophene - Thiophene carboxylic acid or derivatives - Aralkylamine - Secondary aliphatic/aromatic amine - Aminopyrimidine - Imidolactam - Benzenoid - Pyrimidine - Cyclopentanol - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Thiophene - Organic sulfuric acid or derivatives - Cyclic alcohol - Secondary alcohol - Ketone - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
External Descriptors Not available

Associated Targets(Human)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CA1 Tclin Carbonic anhydrase I (13240 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
U2OS (164939 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HCT-116 (91556 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SAE1 Tbio SUMO-activating enzyme (861 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK-293T (167025 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
UBA3 Tchem NEDD8 activating enzyme (447 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name [(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate
INCHI InChI=1S/C25H28ClN5O5S2/c1-13-18(23-19-7-16(26)3-2-14(19)4-5-29-23)9-22(37-13)24(33)20-10-28-12-30-25(20)31-17-6-15(21(32)8-17)11-36-38(27,34)35/h2-3,7,9-10,12,15,17,21,23,29,32H,4-6,8,11H2,1H3,(H2,27,34,35)(H,28,30,31)/t15-,17-,21+,23+/m1/s1
InChIKey LXRZVMYMQHNYJB-UNXOBOICSA-N
Smiles CC1=C(C=C(S1)C(=O)C2=CN=CN=C2NC3CC(C(C3)O)COS(=O)(=O)N)C4C5=C(CCN4)C=CC(=C5)Cl
Isomeric SMILES CC1=C(C=C(S1)C(=O)C2=CN=CN=C2N[C@@H]3C[C@@H]([C@H](C3)O)COS(=O)(=O)N)[C@H]4C5=C(CCN4)C=CC(=C5)Cl
PubChem CID 118628567
Molecular Weight 578.10

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 Number Certificate Type Date Item
B2427184 Certificate of Analysis Jan 20, 2024 S414205
B2427210 Certificate of Analysis Jan 20, 2024 S414205
B2427185 Certificate of Analysis Jan 20, 2024 S414205
B2427186 Certificate of Analysis Jan 20, 2024 S414205
B2427188 Certificate of Analysis Jan 20, 2024 S414205
B2427190 Certificate of Analysis Jan 20, 2024 S414205
B2427187 Certificate of Analysis Jan 20, 2024 S414205
B2427189 Certificate of Analysis Jan 20, 2024 S414205

Chemical and Physical Properties

Solubility Solubility (25°C) In vitro DMSO: 100 mg/mL (172.98 mM); Water: Insoluble; Ethanol: Insoluble;
Molecular Weight 578.100 g/mol
XLogP3 3.500
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 8
Exact Mass 577.122 Da
Monoisotopic Mass 577.122 Da
Topological Polar Surface Area 193.000 Ų
Heavy Atom Count 38
Formal Charge 0
Complexity 942.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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