CB 3717

CAT: 0931-T25208-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T25208-03Size:100 mg

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

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CAS Number

76849-19-9

Target

DNA/RNA Synthesis, Others

Related Pathways

DNA Damage/DNA Repair, Cell Cycle/Checkpoint, Others

Bioactivity

CB 3717 is an enzyme inhibitor, antineoplastic agent, folic acid antagonist.

Smiles

O=C1C=2C(=CC=C(CN(CC#C)C3=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3)C2)NC(N)=N1

Molecular Formula

C24H23N5O6

Molecular Weight

477.47

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

CB 3717

CAS Number	76849-19-9
PubChem CID	135402053
IUPAC Name	2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
Molecular Formula	C24H23N5O6
Molecular Weight	477.5
XLogP	0.6
Topological Polar Surface Area	174
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Heavy Atom Count	35
Formal Charge	0
Complexity	903

SMILES

C#CCN(CC1=CC2=C(C=C1)N=C(NC2=O)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)

InChIKey

LTKHPMDRMUCUEB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 76849-19-9

CID: 135402053

Formula: C24H23N5O6

MW: 477.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	477.5
XLogP3	0.6
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Exact Mass	477.16483347
Monoisotopic Mass	477.16483347
Topological Polar Surface Area	174 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	903
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS5774943	CB 3717
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SR320725	JAK2 Human siRNA Oligo Duplex (Locus ID 3717)
TL320395V	JAK2 Human shRNA Lentiviral Particle (Locus ID 3717)
SP-72257-1	Amyloid ß/A4 Protein Precursor770 (740-770) (AA: Ala-Ala-Val-Thr-Pro-Glu-Glu-Arg-His-Leu-Ser-Lys-Met-Gln-Gln-Asn-Gly-Tyr-Glu-Asn-Pro-Thr-Tyr-Lys-Phe-Phe-Glu-Gln-Met-Gln-Asn) (MW: 3717.14)

CB 3717

Chemical Information

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