Msx-122
Also known as MSX 122, CXCR4 Inhibitor Q-122, N-((4-(((pyrimidin-2-yl)amino)methyl)phenyl)methyl)pyrimidin-2-amine
Key facts
What buyers check first
- CAS number
- 897657-95-3
- Formula
- C16H16N6
- Molar mass
- 292.35 g/mol
- HS code
- 293359
- Category
- Heterocyclic building blocks
What is Msx-122?
Plain description, key identifiers and synonyms
CXCR4 Inhibitor Q-122 is an orally bioavailable inhibitor of CXCR4 with potential antineoplastic and antiviral activities. CXCR4 inhibitor MSX-122 binds to the chemokine receptor CXCR4, preventing the binding of stromal derived factor-1 (SDF-1) to the CXCR4 receptor and receptor activation, which may result in decreased tumor cell proliferation and migration. CXCR4, a chemokine receptor belonging to the GPCR (G protein-coupled receptor) gene family, plays an important role in chemotaxis and angiogenesis and is upregulated in several tumor cell types, it is also a co-receptor for HIV entry into T cells.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine
- CAS number
- 897657-95-3
- Molecular formula
- C16H16N6
- UNII
- 69D634Q702
- MDL number
- MFCD18803971
- InChIKey
- PXZXYRKDDXKDTK-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H16N6/c1-7-17-15(18-8-1)21-11-13-3-5-14(6-4-13)12-22-16-19-9-2-10-20-16/h1-10H,11-12H2,(H,17,18,21)(H,19,20,22)
- SMILES (canonical and isomeric)
- C1=CN=C(N=C1)NCC2=CC=C(C=C2)CNC3=NC=CC=N3
Synonyms
- MSX 122
- CXCR4 Inhibitor Q-122
- N-((4-(((pyrimidin-2-yl)amino)methyl)phenyl)methyl)pyrimidin-2-amine
- N,N'-(1,4-phenylenebis(methylene))bis(pyrimidin-2-amine)
- N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine
- Metastatix
- MSX 222
- US9205085, MSX- 122
- 1,4-Benzenedimethanamine, N1,N4-di-2-pyrimidinyl-
- inhibit,MSX-122,CXC chemokine receptors,Inhibitor,CXCR
- N,N inverted exclamation mark -[1,4-Phenylenebis(methylene)]bis(pyrimidin-2-amine)
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 | 292.35 g/molcalc.Computed value |
|---|---|
| Exact mass | 292.1436 Dacalc.Computed value |
| LogP (octanol/water) | 2.49calc.Computed value |
| Topological polar surface area | 75.62 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 6calc.Computed value |
| Rotatable bonds | 6calc.Computed value |
| Heavy atoms | 22calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0.13calc.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
c1cnc(NCc2ccc(CNc3ncccn3)cc2)nc1
3 rings, 22 atoms. This chemical is the scaffold itself.
No other chemical in our database has this scaffold.
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.
Msx-122 suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- Price on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
1 supplier in 1 country
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Msx-122 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
Roles
- antineoplastic agent
- pharmaceutical
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 Msx-122 is traded under.
Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other
- Ireland43.6%
- Switzerland * partner reported26.3%
- China7.9%
- Slovenia30.3%
- United States30.1%
- Germany15.3%
* Partner reported figures, a lower bound.
The HS code shown for Msx-122 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![4-[N-(2-Pyrimidinyl)aminomethyl]aniline chemical structure, C11H12N4, CAS 56851-32-2](/s/MMIIBRRCVZEKFI-UHFFFAOYSA-N.svg)
![N-[(Pyridin-4-yl)methyl]pyrimidin-2-amine chemical structure, C10H10N4, CAS 77200-15-8](/s/TZFFQDPCQWBXKT-UHFFFAOYSA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
![1,2-Bis(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethane chemical structure, C16H16N6, CAS 64762-53-4](/s/YZJYQGRMFVKPAP-UHFFFAOYSA-N.svg)
![4,6-Dimethyl-2-{(2E)-2-[(3-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}pyrimidine chemical structure, C16H16N6, CAS 371119-35-6](/s/CSRIBYVDPVHTBM-VCHYOVAHSA-N.svg)
![3-(3,5-Dimethyl-1H-pyrazol-1-yl)-5-ethyl-5H-[1,2,4]triazino[5,6-b]indole chemical structure, C16H16N6, CAS 112800-80-3](/s/RMFWVZGZABPDKH-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about Msx-122, based on the data on this page
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Guides for buyers
Practical guides that help when you source, ship or handle Msx-122
- 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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