Mrtx0902
Also known as MRTX-0902, (R)-2-Methyl-3-(1-((4-methyl-7-morpholinopyrido[3,4-d]pyridazin-1-yl)amino)ethyl)benzonitrile, (R)-2-Methyl-3-(1-((4-methyl-7-morpholinopyrido(3,4-d)pyridazin-1-yl)amino)ethyl)benzonitrile
Key facts
What buyers check first
- CAS number
- 2654743-22-1
- Formula
- C22H24N6O
- Molar mass
- 388.48 g/mol
- HS code
- 293499
- Category
- Screening compounds
What is Mrtx0902?
Plain description, key identifiers and synonyms
SOS1 Inhibitor MRTX0902 is an orally available, brain-penetrant, phthalazine-based inhibitor of the guanine nucleotide exchange factor (GEF) Son of sevenless homolog 1 (SOS1), with potential antineoplastic activity. Upon oral administration, SOS1 inhibitor MRTX0902 selectively targets and binds to SOS1, thereby preventing the interaction of SOS1 with Kirsten rat sarcoma viral oncogene homolog (KRAS) in the guanosine diphosphate (GDP)-bound 'off' state, which is the inactivated state of KRAS. This abrogates the exchange of RAS-bound GDP for guanosine triphosphate (GTP) and prevents the formation of GTP-loaded KRAS, which is the activated 'on' state of KRAS. This prevents activation of downstream RAF/mitogen-activated protein kinase kinase (MEK)/extracellular signal-regulated kinase (ERK) signaling pathway by GTP-loaded KRAS.
Read more
This inhibits mutant KRAS-dependent signaling and may inhibit growth and survival of KRAS-expressing tumor cells. KRAS is a member of the RAS family of oncogenes that is mutated in many cancer cell types. Mutations of KRAS may induce constitutive signal transduction leading to tumor cell proliferation, survival, invasion, and metastasis. SOS1 regulates the KRAS GDP-GTP cycle and promotes nucleotide exchange and formation of 'active' KRAS-GTP.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2-methyl-3-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]benzonitrile
- CAS number
- 2654743-22-1
- Molecular formula
- C22H24N6O
- UNII
- CRG69FR93G
- MDL number
- MFCD34662948
- InChIKey
- ILPWEAHQRAWJIU-OAHLLOKOSA-N
- InChI
- InChI=1S/C22H24N6O/c1-14-17(12-23)5-4-6-18(14)15(2)25-22-19-11-21(28-7-9-29-10-8-28)24-13-20(19)16(3)26-27-22/h4-6,11,13,15H,7-10H2,1-3H3,(H,25,27)/t15-/m1/s1
- Canonical SMILES
- Cc1c(C#N)cccc1C(C)Nc1nnc(C)c2cnc(N3CCOCC3)cc12
- Isomeric SMILES
- CC1=C(C=CC=C1[C@@H](C)NC2=NN=C(C3=CN=C(C=C32)N4CCOCC4)C)C#N
Synonyms
- MRTX-0902
- (R)-2-Methyl-3-(1-((4-methyl-7-morpholinopyrido[3,4-d]pyridazin-1-yl)amino)ethyl)benzonitrile
- (R)-2-Methyl-3-(1-((4-methyl-7-morpholinopyrido(3,4-d)pyridazin-1-yl)amino)ethyl)benzonitrile
- Benzonitrile, 2-methyl-3-((1R)-1-((4-methyl-7-(4-morpholinyl)pyrido(3,4-d)pyridazin-1-yl)amino)ethyl)-
- MRTX 0902
- (R)-2-Methyl-3-[1-[(4-methyl-7-morpholinopyrido[3,4-d]pyridazin-1-yl)amino]ethyl]benzonitrile
- SOS1 Inhibitor MRTX0902
- 2-Methyl-3-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]benzonitrile
- 2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile
- MRTX0902, MRTX-0902, MRTX 0902
- MRTX0902?
- NKF
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 | 388.48 g/molcalc.Computed value |
|---|---|
| Exact mass | 388.2012 Dacalc.Computed value |
| LogP (octanol/water) | 3.52calc.Computed value |
| Topological polar surface area | 86.96 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 7calc.Computed value |
| Rotatable bonds | 4calc.Computed value |
| Heavy atoms | 29calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0.36calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.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
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.
Mrtx0902 suppliers
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Mrtx0902 price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
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 Mrtx0902 is traded under.
Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934
- United States24.5%
- Germany23.1%
- Japan4.5%
The HS code shown for Mrtx0902 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Mrtx0902, based on the data on this page
What is Mrtx0902?
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What is the molecular formula and weight of Mrtx0902?
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What is the HS code of Mrtx0902?
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Guides for buyers
Practical guides that help when you source, ship or handle Mrtx0902
- 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
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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