Indisulam
Also known as N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide, N1-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide, indisulamum
Key facts
What buyers check first
- CAS number
- 165668-41-7
- Formula
- C14H12ClN3O4S2
- Molar mass
- 385.85 g/mol
- EC number
- 998-845-1
- HS code
- 293590
- Category
- Screening compounds
What is Indisulam?
Plain description, key identifiers and synonyms
Indisulam is a chloroindole that is 3-chloro-1H-indole substituted by a [(4-sulfamoylphenyl)sulfonyl]nitrilo group at position 7. It is a carbonic anhydrase inhibitor and a potential anti-cancer agent currently in clinical development. It has a role as an EC 4.2.1.1 (carbonic anhydrase) inhibitor and an antineoplastic agent. It is a sulfonamide, an organochlorine compound and a chloroindole.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 4-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
- CAS number
- 165668-41-7 CAS number cross-checked
- EC number
- 998-845-1
- Molecular formula
- C14H12ClN3O4S2
- UNII
- WJ98J3NM90
- MDL number
- MFCD00945325
- InChIKey
- SETFNECMODOHTO-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
- SMILES (canonical and isomeric)
- C1=CC2=C(C(=C1)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)NC=C2Cl
Synonyms
- N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
- N1-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
- indisulamum
- N-(3-chloro-7-indolyl)-1,4-benzenedisulfonamide
- N-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide
- N-(3-Chloro-7-indoyl)-1,4-Benzenedisulfonamide
- 4-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
- indisulam (e7070)
- N-(3-Chloro-1H-indol-7-yl)-1,4-benzenedisulfonamide
- 1,4-Benzenedisulfonamide, N1-(3-chloro-1H-indol-7-yl)-
- N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
- C14H12ClN3O4S2
- Indisulam (IND)
- 1,4-Benzenedisulfonamide, N-(3-chloro-1H-indol-7-yl)-
- Indisulam (USAN/INN)
- N~1~-(3-chloro-1H-indo
- N-(3-Chloro-1H-indol-7-yl)benzene-1,4disulfonamide
- Indisulam, >=98% (HPLC)
- N4-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
- N1-(3-Chloro-7-indolyl)benzene-1,4-disulfonamide
- 1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
- N(1)-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
- n-(3-chloro-1h-indol-7-yl)-4-sulfamoylbenzenesulfonamide
- 1,4-Benzenedisulfonamide, N-(3-chloro-1H-indol-7-yl)
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 | 385.85 g/molcalc.Computed value |
|---|---|
| Exact mass | 384.9958 Dacalc.Computed value |
| LogP (octanol/water) | 2.27calc.Computed value |
| Topological polar surface area | 122.1 Ųcalc.Computed value |
| Hydrogen bond donors | 3calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 4calc.Computed value |
| Heavy atoms | 24calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H315Causes skin irritation.
- H319Causes serious eye irritation.
Precautionary statements (9)
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P302 + P352If on skin: Wash with plenty of water.
- P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P332 + P317If skin irritation occurs: Get medical help.
- P337 + P317If eye irritation persists: Get medical help.
- P362 + P364Take off contaminated clothing. And wash it before reuse.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidIndisulam suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, ChangzhouUnclaimed profileIndisulamGrade, purity and minimum order on requestPrice on request
- China, NanjingUnclaimed profileIndisulamGrade, purity and minimum order on requestPrice on request
- GermanyUnclaimed profileIndisulamGrade, purity and minimum order on requestPrice on request
- China, ShanghaiUnclaimed profileIndisulamGrade, purity and minimum order on requestPrice on request
- United StatesUnclaimed profileIndisulamGrade, purity and minimum order on requestPrice on request
- Price on request
- United States, HopkintonUnclaimed profileIndisulamGrade, purity and minimum order on requestPrice on request
- United States, HoustonUnclaimed profileIndisulamGrade, purity and minimum order on requestPrice on request
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Where suppliers are based
12 suppliers in 4 countries
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Indisulam price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Industries and functions
Pharmacological actions
- Antineoplastic Agents
- Carbonic Anhydrase Inhibitors
Roles
- antineoplastic agent
- enzyme inhibitor
- pharmaceutical
Pharmacology
Indisulam is a novel sulfonamide compound with potential antineoplastic activity. Indisulam inhibits cyclin-dependent kinases (CDK), which regulate cell cycle progression and are usually over-expressed in cancerous cells. Inhibition of CDK results in G1/S phase arrest of the cell cycle, and may lead to induction of apoptosis and inhibition of tumor cell proliferation. In addition, indisulam also inhibits carbonic anhydrases (CA), especially isoforms IX and XII that are involved in aqueous humor production and are highly overexpressed in some types of cancers. Inhibition of CA IX and XII results in interference with ion exchange and pH in hypoxic tumor tissue and preventing chemoresistance to weakly basic antineoplastic agents.
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 Indisulam is traded under.
Sulphonamides, other
- United States23.6%
- Slovenia19.1%
- Spain11.7%
* Partner reported figures, a lower bound.
The HS code shown for Indisulam is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Indisulam, based on the data on this page
What is Indisulam?
What is the CAS number of Indisulam?
What is the molecular formula and weight of Indisulam?
What is Indisulam used for?
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What is the HS code of Indisulam?
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Guides for buyers
Practical guides that help when you source, ship or handle Indisulam
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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