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TAK-981

CAT: 0013-GTR19155643-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155643-02Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TAK-981 is a selective the SUMOylation enzymatic cascade inhibitor, has potential immune-activating and antineoplastic activities. (In Vitro) :Subasumstat (TAK-981) is able to increase the production of type 1 IFN, thereby increasing type 1 IFN-mediated signaling, activating innate effector cells and enhancing the antitumor innate immune responses. (In Vivo) :A single sub-cutaneous injection of Subasumstat (TAK-981) in naive Balb/c mice at the brachial lymph nodes induces activation of DCs.
CAS Number
1858276-04-6
Product Name Alternative
Subasumstat
Field of Research
Epigenetics & Chromatin
Purity
>98% (HPLC)
Solubility
DMSO:75 mg/mL (129.74 mM; Need ultrasonic)
Smiles
Cc1c ([C@@H]2NCCc (cc3) c2cc3Cl) cc (C (c2c (N[C@H] (C[C@@H]3COS (N) (=O) =O) C[C@@H]3O) ncnc2) =O) s1
Molecular Formula
C25H28ClN5O5S2
Molecular Weight
578.1
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Subasumstat

Subasumstat is under investigation in clinical trial NCT03648372 (A Study to Evaluate the Safety, Tolerability, Preliminary Efficacy and Pharmacokinetics (PK) of TAK-981 in Adult Participants With Advanced or Metastatic Solid Tumors or Relapsed/refractory Hematologic Malignancies and in a Subset With Coronavirus Disease 2019 (COVID-19)).

CAS Number1858276-04-6
PubChem CID118628567
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
Molecular FormulaC25H28ClN5O5S2
Molecular Weight578.1
XLogP3.5
Topological Polar Surface Area193
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity942
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
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
Chemical Structure
2D Structure
2D structure of Subasumstat
CAS: 1858276-04-6
CID: 118628567
Formula: C25H28ClN5O5S2
MW: 578.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight578.1
XLogP33.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass577.1220391
Monoisotopic Mass577.1220391
Topological Polar Surface Area193 Ų
Heavy Atom Count38
Formal Charge0
Complexity942
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
IZC27604-01TAK-981
A20002-50TAK-981 50mg
S8829-100mgSubasumstat (TAK-981)
A20002-100TAK-981 100mg
A20002-2TAK-981 2mg
A20002-25TAK-981 25mg
A20002-5TAK-981 5mg
A20002-10TAK-981 10mg
A20002-1TAK-981 1mg
A20002-10mM-DTAK-981 10mM * 1mL in DMSO

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