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5'-O-DMTr-N2-isobutyrylguanosine

HCID 178790488
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Basic information

CAS
81246-83-5
Standard SMILES
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIKey
SSYBHRGSXXKZQZ-FKCALIPENA-N
Molecular formula
C35H37N5O8
Average molar mass
655.7 g/mol

Names & identifiers

Preferred name
5'-O-DMTr-N2-isobutyrylguanosine
English name
5'-O-DMTr-N2-isobutyrylguanosine
Molecular formula
C35H37N5O8
Molecular weight
655.7

Names & synonyms

DMT-rG(iBu)5'-DMT-ibu-rG5'-O-DMT-ibu-rGN2-iBu-5'-O-DMT-guanosine5'-O-DMT-N2-ibu-Guanosine5’-O-DMTr-Guanosine (N-ibu)5'-O-DMTr-N2-isobutyrylguanosine5'-O-DMT-N2-Isobutyryl-GuanosineN2-isobutyryl-5'-O-(4,4'-dimethoxytrityl)guanosine5'-O-(4,4'-Dimethoxytrityl)-N2-isobutyryl-guanosine

Database identifiers

CAS
81246-83-5

Properties

Physicochemical properties

Melting point
153 °C · >153°C (dec.)
Density
1.395 · 1.395±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.
Refrigerator
solubility
DMSO (Slightly), Methanol (Slightly)
form
Solid
pka
7.587 · 7.587±0.10(predicted)
color
Pale Yellow
InChIKey
SSYBHRGSXXKZQZ-FKCALIPENA-N
SMILES
O(C(C1=CC=C(OC)C=C1)(C1=CC=C(OC)C=C1)C1=CC=CC=C1)C[C@H]1O[C@@H](N2C3=C(C(NC(=N3)NC(=O)C(C)C)=O)N=C2)[C@H](O)[C@@H]1O |&1:25,27,44,46,r|
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses5''-O-[Bis(4-methoxyphenyl)phenylmethyl]-N-(2-methyl-1-oxopropyl)-guanosine is used to prepare ppGpp analogs as inhibitors of RelA from Gram-negative/-positive bacteria. It is also used to synthesize guanosine 5''-conjugates as initiator molecules for transcription priming.

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