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Chemistry

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Also known as: Soquelitinib [usan], 6i5h17an3i, Schembl20161546, Cpi-596, Cpi-818, Bdbm497955
Molecular Formula
C25H30N4O4S2
Molecular Weight
514.7  g/mol
InChI Key
KNCWSXRTKLTULH-MRXNPFEDSA-N
FDA UNII
6I5H17AN3I

Soquelitinib
Soquelitinib is an orally available, small-molecule, irreversible inhibitor of interleukin-2 inducible T-cell kinase (ITK) with potential immunomodulatory and antineoplastic activities. Upon oral administration, soquelitinib selectively and covalently binds to the cysteine residue at position 442 (CYS-442) of ITK, thereby disrupting ITK-mediated signal transduction, while sparing tyrosine-protein kinase TXK (resting lymphocyte kinase, RLK) activity. This may abrogate T-cell receptor (TCR) signaling through ITK and inhibit TCR-induced proliferation of malignant T-cells. Additionally, inhibiting ITK activation may prevent the upregulation of GATA-3, a transcription factor that drives T-helper 2 (Th2) cell differentiation and is overexpressed in certain T-cell lymphomas. Thus, selective inhibition of ITK may inhibit Th2 responses without affecting T-helper 1 (Th1)-dependent immunity. ITK, a member of the Tec family of non-receptor protein tyrosine kinases plays a significant role in the T-cell development, differentiation and production of pro-inflammatory cytokines.
1 2D Structure

Soquelitinib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[5-[4-methoxy-2-methyl-5-[(3R)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
2.1.2 InChI
InChI=1S/C25H30N4O4S2/c1-5-21(30)29-10-6-9-28(14-16(29)3)24(32)18-12-20(15(2)11-19(18)33-4)34-22-13-26-25(35-22)27-23(31)17-7-8-17/h5,11-13,16-17H,1,6-10,14H2,2-4H3,(H,26,27,31)/t16-/m1/s1
2.1.3 InChI Key
KNCWSXRTKLTULH-MRXNPFEDSA-N
2.1.4 Canonical SMILES
CC1CN(CCCN1C(=O)C=C)C(=O)C2=C(C=C(C(=C2)SC3=CN=C(S3)NC(=O)C4CC4)C)OC
2.1.5 Isomeric SMILES
C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)C2=C(C=C(C(=C2)SC3=CN=C(S3)NC(=O)C4CC4)C)OC
2.2 Other Identifiers
2.2.1 UNII
6I5H17AN3I
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Soquelitinib [usan]

2. 6i5h17an3i

3. Schembl20161546

4. Cpi-596

5. Cpi-818

6. Bdbm497955

7. Us11008314, Compound 44

8. Cpi-000818

9. Cp-000596

10. Hy-150298

11. Cs-0979221

12. 2226636-04-8

13. Cyclopropanecarboxamide, N-[5-[[5-[[(3r)-hexahydro-3-methyl-4-(1-oxo-2-propen-1-yl)-1h-1,4-diazepin-1-yl]carbonyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-

14. N-{5-[(5-{[(3r)-4-(prop-2-enoyl)-3-methyl-1,4-diazepan-1-yl]carbonyl}-4-methoxy-2-methylphenyl)sulfanyl]-1,3-thiazol-2-yl}cyclopropanecarboxamide

2.4 Create Date
2018-06-23
3 Chemical and Physical Properties
Molecular Weight 514.7 g/mol
Molecular Formula C25H30N4O4S2
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area145
Heavy Atom Count35
Formal Charge0
Complexity810
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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Looking for 2226636-04-8 / Soquelitinib API manufacturers, exporters & distributors?

Soquelitinib manufacturers, exporters & distributors 1

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PharmaCompass offers a list of Soquelitinib API manufacturers, exporters & distributors, which can be sorted by GMP, USDMF, JDMF, KDMF, CEP (COS), WC, Price,and more, enabling you to easily find the right Soquelitinib manufacturer or Soquelitinib supplier for your needs.

Send us enquiries for free, and we will assist you in establishing a direct connection with your preferred Soquelitinib manufacturer or Soquelitinib supplier.

PharmaCompass also assists you with knowing the Soquelitinib API Price utilized in the formulation of products. Soquelitinib API Price is not always fixed or binding as the Soquelitinib Price is obtained through a variety of data sources. The Soquelitinib Price can also vary due to multiple factors, including market conditions, regulatory modifications, or negotiated pricing deals.

API | Excipient name

Soquelitinib

Synonyms

Soquelitinib [usan], 6i5h17an3i, Schembl20161546, Cpi-596, Cpi-818, Bdbm497955

Cas Number

2226636-04-8

Unique Ingredient Identifier (UNII)

6I5H17AN3I

About Soquelitinib

Soquelitinib is an orally available, small-molecule, irreversible inhibitor of interleukin-2 inducible T-cell kinase (ITK) with potential immunomodulatory and antineoplastic activities. Upon oral administration, soquelitinib selectively and covalently binds to the cysteine residue at position 442 (CYS-442) of ITK, thereby disrupting ITK-mediated signal transduction, while sparing tyrosine-protein kinase TXK (resting lymphocyte kinase, RLK) activity. This may abrogate T-cell receptor (TCR) signaling through ITK and inhibit TCR-induced proliferation of malignant T-cells. Additionally, inhibiting ITK activation may prevent the upregulation of GATA-3, a transcription factor that drives T-helper 2 (Th2) cell differentiation and is overexpressed in certain T-cell lymphomas. Thus, selective inhibition of ITK may inhibit Th2 responses without affecting T-helper 1 (Th1)-dependent immunity. ITK, a member of the Tec family of non-receptor protein tyrosine kinases plays a significant role in the T-cell development, differentiation and production of pro-inflammatory cytokines.

Soquelitinib Manufacturers

A Soquelitinib manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Soquelitinib, including repackagers and relabelers. The FDA regulates Soquelitinib manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Soquelitinib API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Soquelitinib Suppliers

A Soquelitinib supplier is an individual or a company that provides Soquelitinib active pharmaceutical ingredient (API) or Soquelitinib finished formulations upon request. The Soquelitinib suppliers may include Soquelitinib API manufacturers, exporters, distributors and traders.

Soquelitinib GMP

Soquelitinib Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Soquelitinib GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Soquelitinib GMP manufacturer or Soquelitinib GMP API supplier for your needs.

Soquelitinib CoA

A Soquelitinib CoA (Certificate of Analysis) is a formal document that attests to Soquelitinib's compliance with Soquelitinib specifications and serves as a tool for batch-level quality control.

Soquelitinib CoA mostly includes findings from lab analyses of a specific batch. For each Soquelitinib CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Soquelitinib may be tested according to a variety of international standards, such as European Pharmacopoeia (Soquelitinib EP), Soquelitinib JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Soquelitinib USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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