Phosphodiesterase

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CAS Number

9025-82-5

Form

A solid

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Phosphodiesterase I

A phosphoric diester hydrolase that removes 5'-nucleotides from the 3'-hydroxy termini of 3'-hydroxy-terminated OLIGONUCLEOTIDES. It has low activity towards POLYNUCLEOTIDES and the presence of 3'-phosphate terminus on the substrate may inhibit hydrolysis.

CAS Number	9025-82-5
PubChem CID	161498078
IUPAC Name	7-N,7-N-dimethyl-7,8-dihydro-6H-cyclopenta[e][1,3]benzothiazole-2,7-diamine;6-N,6-N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazole-2,6-diamine;7-N,7-N-dimethyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzothiazole-2,7-diamine;6-N,6-N-dimethyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazole-2,6-diamine;7-N,7-N-dimethyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazole-2,7-diamine
Molecular Formula	C62H79N15S5
Molecular Weight	1194.7
Topological Polar Surface Area	352
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	5
Heavy Atom Count	82
Formal Charge	0
Complexity	1380

SMILES

CN(C)C1CCC2=CC3=C(C=C2C1)N=C(S3)N.CN(C)C1CCC2=CC3=C(C=C2C1)SC(=N3)N.CN(C)C1CC2=C(C1)C3=C(C=C2)SC(=N3)N.CN(C)C1CC2=C(C1)C3=C(C=C2)N=C(S3)N.CN(C)C1CC2=CC3=C(C=C2C1)SC(=N3)N

InChI

InChI=1S/2C13H17N3S.3C12H15N3S/c1-16(2)10-4-3-8-7-12-11(6-9(8)5-10)15-13(14)17-12;1-16(2)10-4-3-8-6-11-12(7-9(8)5-10)17-13(14)15-11;1-15(2)9-3-7-5-10-11(6-8(7)4-9)16-12(13)14-10;1-15(2)8-5-7-3-4-10-11(9(7)6-8)14-12(13)16-10;1-15(2)8-5-7-3-4-10-11(9(7)6-8)16-12(13)14-10/h2*6-7,10H,3-5H2,1-2H3,(H2,14,15);5-6,9H,3-4H2,1-2H3,(H2,13,14);2*3-4,8H,5-6H2,1-2H3,(H2,13,14)

InChIKey

WGMBBKSEXJMGFF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 9025-82-5

CID: 161498078

Formula: C62H79N15S5

MW: 1194.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	1194.7
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	5
Exact Mass	1193.52464345
Monoisotopic Mass	1193.52464345
Topological Polar Surface Area	352 Å²
Heavy Atom Count	82
Formal Charge	0
Complexity	1380
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	5
Compound Is Canonicalized	Yes

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GTR19220076	Phosphodiesterase
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T76133-01	Phosphodiesterase II
P4071-97	Phosphodiesterase I
P4072	Phosphodiesterase 1
MBS5818063	Sphingomyelin phosphodiesterase
GTR19257825-01	Phosphodiesterase-IN-4
HY-161663	Phosphodiesterase-IN-2
HY-P2856	Phosphatidylinositol phosphodiesterase

Phosphodiesterase

Chemical Information

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