Miransertib - Moligand™, ≥98% , Allosteric modulator of AKT serine/threonine kinase 1;Inhibitor of AKT serine/threonine kinase 1;Allosteric modulator of AKT serine/threonine kinase 2;Inhibitor of AKT serine/threonine kinase 2;Allosteric modulator of AKT s, Allosteric modulator of AKT serine/threonine kinase 1;Inhibitor of AKT serine/threonine kinase 1;Allosteric modulator of AKT serine/threonine kinase 2;Inhibitor of AKT serine/threonine kinase 2;Allosteric modulator of AKT serine/threonine kinase 3;Inhibit

CAS: 1313881-70-7 Cat. No.: M275392 Formula: C₂₇H₂₄N₆ Molecular Weight: 432.53 EC Number: 855-383-4

GRADE & PURITY Moligand™, ≥98%

Synonyms

1313881-70-7 | BDBM50593633 | D11409 | 3-(3-(4-(1-AMINOCYCLOBUTYL)PHENYL)-5-PHENYL-3HIMIDAZO(4,5-B)PYRIDIN-2-YL)PYRIDIN-2-AMINE | Miransertib [USAN] | T1DQI1B52Y | AI-942/25034199 | HY-19719 | (+/-) camphorsulfonic acid | ARQ 092 | F85345 | Miransertib [U

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Shipped at 4°C. Store at -20°C. Store In the Dark. Store under desiccating conditions.

Specifications

Synonyms

1313881-70-7 | BDBM50593633 | D11409 | 3-(3-(4-(1-AMINOCYCLOBUTYL)PHENYL)-5-PHENYL-3HIMIDAZO(4,5-B)PYRIDIN-2-YL)PYRIDIN-2-AMINE | Miransertib [USAN] | T1DQI1B52Y | AI-942/25034199 | HY-19719 | (+/-) camphorsulfonic acid | ARQ 092 | F85345 | Miransertib [U

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Allosteric, selective, non-ATP competitive\xa0pan-Akt inhibitor (IC 50 = 5.0, 4.5, and 16 nM for Akt1, Akt2, and Akt3, respectively). Selective for Akt isoforms over a panel of 303 other kinases.

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

ALLOSTERIC MODULATOR, INHIBITOR

Mechanism of action

Allosteric modulator of AKT serine/threonine kinase 1;Inhibitor of AKT serine/threonine kinase 1;Allosteric modulator of AKT serine/threonine kinase 2;Inhibitor of AKT serine/threonine kinase 2;Allosteric modulator of AKT serine/threonine kinase 3;Inhibit

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Product Properties

ALogP

3.8

Names and Identifiers

Pubchem Sid

488201568

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488201568

Canonical Smiles

C1CC(C1)(C2=CC=C(C=C2)N3C4=C(C=CC(=N4)C5=CC=CC=C5)N=C3C6=C(N=CC=C6)N)N

IUPAC Name

3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

InChIKey

HNFMVVHMKGFCMB-UHFFFAOYSA-N

INCHI

1S/C27H24N6/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)

Isomeric SMILES

C1CC(C1)(C2=CC=C(C=C2)N3C4=C(C=CC(=N4)C5=CC=CC=C5)N=C3C6=C(N=CC=C6)N)N

Alternate CAS

1313881-70-7

MeSH Entry Terms

3-(3-(4-(1-aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo(4,5-b)pyridin-2-yl)pyridin-2-amine;ARQ 092;Miransertib

Molecular Weight

432.53

Reaxy-Rn

21571033

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21571033&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Phenylimidazoles Imidazopyridines Aralkylamines Aminopyridines and derivatives N-substituted imidazoles Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylpyridine - 1-phenylimidazole - Imidazopyridine - Aminopyridine - Aralkylamine - Imidolactam - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Imidazole - Azole - Heteroaromatic compound - Azacycle - Amine - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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)

AKT3 Tchem RAC-gamma serine/threonine-protein kinase (1 Activities)

Discover Target: AKT3

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

AKT2 Tchem RAC-beta serine/threonine-protein kinase (1 Activities)

Discover Target: AKT2

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

AKT1 Tchem RAC-alpha serine/threonine-protein kinase (1 Activities)

Discover Target: AKT1

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

AKT2 Tchem Serine/threonine-protein kinase AKT2 (4301 Activities)

Discover Target: AKT2

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

AKT3 Tchem Serine/threonine-protein kinase AKT3 (3157 Activities)

Discover Target: AKT3

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

AKT1 Tchem Serine/threonine-protein kinase AKT (9192 Activities)

Discover Target: AKT1

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

HepG2 (196354 Activities)

Explore this target

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

SW-620 (52400 Activities)

Explore this target

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

AKT1S1 Tchem Proline-rich AKT1 substrate 1 (25 Activities)

Discover Target: AKT1S1

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble ine DMSO to 159.92 mM and in ethanol to 8.52 mM
• Molecular Weight: 432.500 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 432.206 Da
• Monoisotopic Mass: 432.206 Da
• Topological Polar Surface Area: 95.600 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 653.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1313881-70-7, the molecular formula is C27H24N6, and the molecular weight is 432.53 g/mol. InChIKey HNFMVVHMKGFCMB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.