Tomivosertib

CAT: 0127-BUP07402-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP07402-02Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1849590-01-7

Synonyms

EFT508

Purity

=95%

Smiles

Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1

Chemical Information

Tomivosertib

Tomivosertib is under investigation in clinical trial NCT03318562 (A PD Study of Oral eFT508 in Subjects With Advanced TNBC and HCC).

CAS Number	1849590-01-7
PubChem CID	118598754
IUPAC Name	6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
Molecular Formula	C17H20N6O2
Molecular Weight	340.4
XLogP	1.3
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	25
Formal Charge	0
Complexity	664

SMILES

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=NC=NC(=C4)N)CCCCC3

InChI

InChI=1S/C17H20N6O2/c1-10-7-11(21-13-8-12(18)19-9-20-13)16(25)23-14(10)15(24)22-17(23)5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,22,24)(H3,18,19,20,21)

InChIKey

HKTBYUWLRDZAJK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1849590-01-7

CID: 118598754

Formula: C17H20N6O2

MW: 340.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	340.4
XLogP3	1.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	340.16477390
Monoisotopic Mass	340.16477390
Topological Polar Surface Area	113 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	664
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-100022-01	Tomivosertib
ZYC59002-01	Tomivosertib hydrochloride
207030	Tomivosertib HCl
A20407-100	Tomivosertib 100mg
A20407-25	Tomivosertib 25mg
A20407-10	Tomivosertib 10mg
A20407-5	Tomivosertib 5mg
HY-100022A	Tomivosertib (hydrochloride)
A20407-50	Tomivosertib 50mg
A20407-1	Tomivosertib 1mg