ALK2-IN-2 - ≥99% , CAS No.2254409-25-9

CAS: 2254409-25-9 Cat. No.: A648931 Molecular Weight: 497.61 PubChem CID: 138454752

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

ALK2-IN-2 is a potent and selective inhibitor of activin receptor-like kinase 2 (ALK2) with an IC 50 of 9 nM, and over 700-fold selectivity against ALK3

Form:Solid

IC50& Target:ACVR1 9 nM (IC 50 )

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

ALK2-IN-2 is a potent and selective inhibitor of activin receptor-like kinase 2 (ALK2) with an IC 50 of 9 nM, and over 700-fold selectivity against ALK3.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC(C1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=CC=C(C5=CC=CC=C54)S(=O)(=O)N)N=C2)N6CCCC6
• IUPAC Name: 4-[6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide
• InChIKey: IPESYYFOXATSFJ-UHFFFAOYSA-N
• INCHI: 1S/C28H27N5O2S/c1-19(32-14-4-5-15-32)20-8-10-21(11-9-20)22-16-30-28-26(17-31-33(28)18-22)24-12-13-27(36(29,34)35)25-7-3-2-6-23(24)25/h2-3,6-13,16-19H,4-5,14-15H2,1H3,(H2,29,34,35)
• Isomeric SMILES: CC(C1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=CC=C(C5=CC=CC=C54)S(=O)(=O)N)N=C2)N6CCCC6
• PubChem CID: 138454752
• Molecular Weight: 497.61

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-naphthalene sulfonic acids and derivatives
• Alternative Parents: 1-naphthalene sulfonamides Pyrazolo[1,5-a]pyrimidines Aralkylamines Pyrimidines and pyrimidine derivatives Organosulfonamides N-alkylpyrrolidines Benzene and substituted derivatives Pyrazoles Heteroaromatic compounds Aminosulfonyl compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 1-naphthalene sulfonamide - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Aralkylamine - N-alkylpyrrolidine - Organosulfonic acid amide - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Pyrazole - Azole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ACVR1 Tchem Activin receptor type-1 (1 Activities)

Discover Target: ACVR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TGFBR1 Tchem TGF-beta receptor type I (3786 Activities)

Discover Target: TGFBR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TGFBR2 Tchem TGF-beta receptor type II (795 Activities)

Discover Target: TGFBR2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BMPR1A Tchem Bone morphogenetic protein receptor type-1A (678 Activities)

Discover Target: BMPR1A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ACVR1B Tchem Activin receptor type-1B (1131 Activities)

Discover Target: ACVR1B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ACVRL1 Tchem Serine/threonine-protein kinase receptor R3 (538 Activities)

Discover Target: ACVRL1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ACVR2B Tchem Activin receptor type-2B (540 Activities)

Discover Target: ACVR2B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BMPR2 Tchem Bone morphogenetic protein receptor type-2 (640 Activities)

Discover Target: BMPR2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BMPR1B Tchem Bone morphogenetic protein receptor type-1B (563 Activities)

Discover Target: BMPR1B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ACVR2A Tchem Activin receptor type-2A (326 Activities)

Discover Target: ACVR2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 125 mg/mL (251.20 mM; Need ultrasonic)