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Screening compounds

(S)-Subasumstat

Also known as (S)-TAK-981, ((1R,2S,4R)-4-((5-(4-((S)-7-Chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)-5-methylthiophene-2-carbonyl)pyrimidin-4-yl)amino)-2-hydroxycyclopentyl)methyl sulfamate, [(1R,2S,4R)-4-[[5-[4-[(1S)-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate

CAS 1858282-76-4Formula C25H28ClN5O5S2Molar mass 578.12 g/mol
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(S)-Subasumstat chemical structure, C25H28ClN5O5S2, CAS 1858282-76-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1858282-76-4
Formula
C25H28ClN5O5S2
Molar mass
578.12 g/mol
HS code
293499
Category
Screening compounds

What is (S)-Subasumstat?

Plain description, key identifiers and synonyms

(S)-Subasumstat is a chemical substance with the molecular formula C25H28ClN5O5S2 and a molar mass of 578.12 g/mol. Its CAS registry number is 1858282-76-4. The IUPAC name is [(1R,2S,4R)-4-[[5-[4-[(1S)-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,2S,4R)-4-[[5-[4-[(1S)-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate
CAS number
1858282-76-4
Molecular formula
C25H28ClN5O5S2
InChIKey
LXRZVMYMQHNYJB-FAZIRXHDSA-N
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
Canonical SMILES
Cc1sc(C(=O)c2cncnc2NC2CC(O)C(COS(N)(=O)=O)C2)cc1C1NCCc2ccc(Cl)cc21
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

Synonyms

  • (S)-TAK-981
  • ((1R,2S,4R)-4-((5-(4-((S)-7-Chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)-5-methylthiophene-2-carbonyl)pyrimidin-4-yl)amino)-2-hydroxycyclopentyl)methyl sulfamate
  • [(1R,2S,4R)-4-[[5-[4-[(1S)-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
578.12 g/molcalc.
Exact mass
577.122 Dacalc.
LogP (octanol/water)
2.74calc.
Topological polar surface area
156.5 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
8calc.
Heavy atoms
38calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.4calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(c1cc(C2NCCc3ccccc32)cs1)c1cncnc1NC1CCCC1

O=C(c1cc(C2NCCc3ccccc32)cs1)c1cncnc1NC1CCCC1

5 rings, 29 atoms.

2 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

(S)-Subasumstat suppliers

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(S)-Subasumstat price

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code (S)-Subasumstat is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for (S)-Subasumstat is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about (S)-Subasumstat, based on the data on this page

What is (S)-Subasumstat?

(S)-Subasumstat is a chemical substance with the molecular formula C25H28ClN5O5S2 and a molar mass of 578.12 g/mol. Its CAS registry number is 1858282-76-4.

What is the CAS number of (S)-Subasumstat?

The CAS registry number of (S)-Subasumstat is 1858282-76-4.

What is the molecular formula and weight of (S)-Subasumstat?

The molecular formula of (S)-Subasumstat is C25H28ClN5O5S2 and its molar mass is 578.12 g/mol.

What is (S)-Subasumstat used for?

Known uses and roles of (S)-Subasumstat include building blocks in research and laboratory and screening compounds in research and laboratory.

Is (S)-Subasumstat hazardous?

No GHS hazard classification for (S)-Subasumstat is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of (S)-Subasumstat?

(S)-Subasumstat is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy (S)-Subasumstat?

Post a free request on CompoundList and suppliers of (S)-Subasumstat will send you quotes. Your contact details stay private until you accept a quote.

What is the price of (S)-Subasumstat?

Suppliers quote (S)-Subasumstat on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle (S)-Subasumstat

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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