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Technical details about FHD-286, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Fhd-286, 2671128-05-3, Fhd286, 1h-pyrrole-3-carboxamide, n-((1s)-2-((4-(6-((2r,6s)-2,6-dimethyl-4-morpholinyl)-2-pyridinyl)-2-thiazolyl)amino)-1-(methoxymethyl)-2-oxoethyl)-1-(methylsulfonyl)-, Unii-qha5xla4sa, Gtpl11967
Molecular Formula
C24H30N6O6S2
Molecular Weight
562.7  g/mol
InChI Key
JBLQNFBXKOAIHG-FCEWJHQRSA-N
FDA UNII
QHA5XLA4SA

BRG1/BRM Inhibitor FHD-286 is an orally bioavailable, allosteric, small molecule inhibitor of transcription activator BRG1 (SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A member 4; SMARCA4) and BRM (SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A member 2; SMARCA2), with potential antineoplastic activity. Upon oral administration, BRG1/BRM inhibitor FHD-286 targets, binds to, and inhibits the activity of BRG1 and/or BRM, the primary ATPase components and mutually exclusive subunits of the BRG1/BRM-associated factor (BAF) complexes. This may lead to the inhibition of the SWI/SNF chromatin remodeling complex, disrupt chromatin remodeling and gene expression, and result in the downregulation of oncogenic pathways and the inhibition of tumor cell proliferation. BAF is an important regulator of transcriptional programs and gene expression. Mutations in BAF or its transcription factor partners are found in certain diseases including cancers.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[(2S)-1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridin-2-yl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-methylsulfonylpyrrole-3-carboxamide
2.1.2 InChI
InChI=1S/C24H30N6O6S2/c1-15-10-29(11-16(2)36-15)21-7-5-6-18(25-21)20-14-37-24(27-20)28-23(32)19(13-35-3)26-22(31)17-8-9-30(12-17)38(4,33)34/h5-9,12,14-16,19H,10-11,13H2,1-4H3,(H,26,31)(H,27,28,32)/t15-,16+,19-/m0/s1
2.1.3 InChI Key
JBLQNFBXKOAIHG-FCEWJHQRSA-N
2.1.4 Canonical SMILES
CC1CN(CC(O1)C)C2=CC=CC(=N2)C3=CSC(=N3)NC(=O)C(COC)NC(=O)C4=CN(C=C4)S(=O)(=O)C
2.1.5 Isomeric SMILES
C[C@@H]1CN(C[C@@H](O1)C)C2=CC=CC(=N2)C3=CSC(=N3)NC(=O)[C@H](COC)NC(=O)C4=CN(C=C4)S(=O)(=O)C
2.2 Other Identifiers
2.2.1 UNII
QHA5XLA4SA
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Fhd-286

2. 2671128-05-3

3. Fhd286

4. 1h-pyrrole-3-carboxamide, N-((1s)-2-((4-(6-((2r,6s)-2,6-dimethyl-4-morpholinyl)-2-pyridinyl)-2-thiazolyl)amino)-1-(methoxymethyl)-2-oxoethyl)-1-(methylsulfonyl)-

5. Unii-qha5xla4sa

6. Gtpl11967

7. Ex-a6082

8. Nsc840947

9. Nsc-840947

10. Hy-144835

11. Cs-0435579

12. F78342

13. N-((s)-1-(4-(6-((2s,6r)-2,6-dimethylmorpholino)pyridin-2-yl)thiazol-2-ylamino)-3-methoxy-1-oxopropan-2-yl)-1-(methylsulfonyl)-1h-pyrrole-3-carboxamide

14. N-[(2s)-1-[[4-[6-[(2s,6r)-2,6-dimethylmorpholin-4-yl]pyridin-2-yl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-methylsulfonylpyrrole-3-carboxamide

2.4 Create Date
2021-11-10
3 Chemical and Physical Properties
Molecular Weight 562.7 g/mol
Molecular Formula C24H30N6O6S2
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass562.16682505 g/mol
Monoisotopic Mass562.16682505 g/mol
Topological Polar Surface Area181 Ų
Heavy Atom Count38
Formal Charge0
Complexity926
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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