Pyrrolopyrimidines
![1,5-Diazabicyclo[4.3.0]non-5-ene, 98%](https://assets.fishersci.com/TFS-Assets/CCG/Chemical-Structures/chemical-structure-cas-3001-72-7.jpg-250.jpg)
1,5-Diazabicyclo[4.3.0]non-5-ene, 98%
CAS: 3001-72-7 Molecular Formula: C7H12N2 Molecular Weight (g/mol): 124.19 MDL Number: MFCD00005554 InChI Key: SGUVLZREKBPKCE-UHFFFAOYSA-N Synonym: 1,5-diazabicyclo 4.3.0 non-5-ene,2,3,4,6,7,8-hexahydropyrrolo 1,2-a pyrimidine,unii-978m4ol12q,2h,3h,4h,6h,7h,8h-pyrrolo 1,2-a pyrimidine,pyrrolo 1,2-a pyrimidine, 2,3,4,6,7,8-hexahydro,1,5-diazabicyclo 4,3,0 non-5-ene,1,5-diazabicyclo 4.3.0-5-nonene,1,5-diazabicyclo-4.3.0 non-5-ene PubChem CID: 76349 IUPAC Name: 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine SMILES: C1CN2CCCN=C2C1
1,5-Diazabicyclo[4.3.0]non-5-ene, 98%
CAS: 3001-72-7 Molecular Formula: C7H12N2 Molecular Weight (g/mol): 124.19 MDL Number: MFCD00005554 InChI Key: SGUVLZREKBPKCE-UHFFFAOYSA-N Synonym: 1,5-diazabicyclo 4.3.0 non-5-ene,2,3,4,6,7,8-hexahydropyrrolo 1,2-a pyrimidine,unii-978m4ol12q,2h,3h,4h,6h,7h,8h-pyrrolo 1,2-a pyrimidine,pyrrolo 1,2-a pyrimidine, 2,3,4,6,7,8-hexahydro,1,5-diazabicyclo 4,3,0 non-5-ene,1,5-diazabicyclo 4.3.0-5-nonene,1,5-diazabicyclo-4.3.0 non-5-ene PubChem CID: 76349 IUPAC Name: 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine SMILES: C1CN2CCCN=C2C1
CJ-023423 Hydrochloride Salt, Hydrate, TRC
Chemical Name or Material: CJ-023423 Hydrochloride Salt, Hydrate InChI Formula: InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32) IUPAC Name: 1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea Molecular Formula: C26H29N5O3S• x(HCl), y(H2O) Molecular Weight (g/mol): 491.6136461802 Recommended Storage: -20°C SMILES: O=S(C1=CC=C(C)C=C1)(NC(NCCC2=CC=C(N3C(CC)=NC4=C3C=C(C)N=C4C)C=C2)=O)=O Synonym: 2-Ethyl-4,6-dimethyl-1-[4-[2-[[[[(4-methylphenyl)sulfonyl]amino]carbonyl]amino]ethyl]phenyl]-1H-imidazo[4,5-c]pyridine Hydrochloride Salt Hydrate,AAT 007 Hydrochloride Salt Hydrate,CJ 023423 Hydrochloride Salt Hydrate,Grapiprant Hydrochloride Salt Hydrate,MR 10A7 Hydrochloride Salt Hydrate,N-[[[2-[4-(2-Ethyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]amino]carbonyl]-4-methylbenzenesulfonamide Hydrochloride Salt Hydrate,RQ 00000007 Hydrochloride Salt Hydrate,RQ 7 Hydrochloride Salt Hydrate,N-[[[2-[4-(2-Ethyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]amino]carbonyl]-4-methyl-benzenesulfonamide Hydrochloride Salt Hydrate
Oclacitinib, TRC
CAS: 1208319-26-9 Chemical Name or Material: Oclacitinib Formula Weight: 337.1572 InChI Formula: InChI=1S/C15H23N5O2S/c1-16-23(21,22)9-11-3-5-12(6-4-11)20(2)15-13-7-8-17-14(13)18-10-19-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18,19)/t11-,12- IUPAC Name: N-methyl-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]methanesulfonamide Molecular Formula: C15H23N5O2S Molecular Weight (g/mol): 337.44 Recommended Storage: +4°C SMILES: CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)C2=NC=NC3=C2C=CN3 Synonym: trans-N-Methyl-4-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclohexanemethanesulfonamide,JAKi,PF 03394197
Tofacitinib impurity N, TRC
CAS: 1260614-73-0 Molecular Formula: C13H19N5 Molecular Weight (g/mol): 245.32 Synonym: N-Methyl-N-((3S,4S)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine SMILES: C[C@H]1CCNC[C@H]1N(C)c2ncnc3[nH]ccc23
6-Chloro-7-deazapurine, TRC
CAS: 3680-69-1 Molecular Formula: C6 H4 Cl N3 Molecular Weight (g/mol): 153.57 Synonym: 7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro- (6CI, 8CI, ACI),1H-Pyrrolo[2,3-d]pyrimidine, 4-chloro- (7CI, 9CI),4-Chloro-7H-pyrrolo[2,3-d]pyrimidine (ACI),4-Chloro-1H-pyrrolo[2,3-d]pyrimidine,4-Chloro-7H-pyrrolo[2,3-d]pyrimidin,4-Chloropyrrolo[2,3-d]pyrimidine,6-Chloro-7-deazapurine,NSC 64952 IUPAC Name: 4-chloro-7H-pyrrolo[2,3-d]pyrimidine SMILES: Clc1ncnc2[nH]ccc12
5,6-Dihydro Tofacitinib, TRC
CAS: 1640972-35-5 Chemical Name or Material: 5,6-Dihydro CP-690550 Formula Weight: 314.1855 InChI Formula: InChI=1S/C16H22N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h10-11,13H,3-5,7-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 Molecular Formula: C16H22N6O Molecular Weight (g/mol): 314.39 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: -20°C SMILES: O=C(CC#N)N(C1)CC[C@@H](C)[C@H]1N(C)C2=C3C(NCC3)=NC=N2 Synonym: 5,6-Dihydro CP-690550,3-((3R,4R)-3-((6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile
N-Methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, TRC
CAS: 477600-74-1 Chemical Name or Material: N-Methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine InChI Formula: InChI=1S/C13H19N5/c1-9-3-5-14-7-11(9)18(2)13-10-4-6-15-12(10)16-8-17-13/h4,6,8-9,11,14H,3,5,7H2,1-2H3,(H,15,16,17)/t9-,11+/m1/s1 IUPAC Name: N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Molecular Formula: C13H19N5 Molecular Weight (g/mol): 245.32
2-Chloro-6-methoxy-7-deazapurine, TRC
CAS: 96022-77-4 Molecular Formula: C7 H6 Cl N3 O Molecular Weight (g/mol): 183.6 IUPAC Name: 2-chloro-4-methoxy-3H-pyrrolo[2,3-d]pyrimidine SMILES: COc1[nH]c(Cl)nc2nccc12
Baricitinib, TRC
CAS: 1187594-09-7 Chemical Name or Material: Baricitinib Formula Weight: 371.1164 InChI Formula: InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20) IUPAC Name: 2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile Molecular Formula: C16 H17 N7 O2 S Molecular Weight (g/mol): 371.42 Recommended Storage: +4°C SMILES: CCS(=O)(=O)N1CC(CC#N)(C1)n2cc(cn2)c3ncnc4[nH]ccc34 Synonym: 3-Azetidineacetonitrile, 1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-,1-(Ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetonitrile,Baricitinib,INCB 028050,INCB 28050,LY 3009104,Olumiant
Oclacitinib Maleate, TRC
CAS: 1640292-55-2 Chemical Name or Material: Oclacitinib Maleate InChI Formula: InChI=1S/C15H23N5O2S.C4H4O4/c1-16-23(21,22)9-11-3-5-12(6-4-11)20(2)15-13-7-8-17-14(13)18-10-19-15;5-3(6)1-2-4(7)8/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1- Molecular Formula: C19H27N5O6S Molecular Weight (g/mol): 453.51 Recommended Storage: -20°C SMILES: CNS(=O)(=O)C[C@@H]1CC[C@H](CC1)N(C)c2ncnc3[nH]ccc23.OC(=O)\C=C/C(=O)O
9-Deazaguanine, TRC
CAS: 65996-58-9 Molecular Formula: C6 H6 N4 O Molecular Weight (g/mol): 150.14 IUPAC Name: 2-amino-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one SMILES: NC1=Nc2cc[nH]c2C(=O)N1
![6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine dihydrochloride, 95%, Thermo Scientific™](https://assets.fishersci.com/TFS-Assets/CCG/Chemical-Structures/chemical-structure-cas-157327-51-0.jpg-250.jpg)
6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine dihydrochloride, 95%, Thermo Scientific™
CAS: 157327-51-0 Molecular Formula: C6H7N3·2ClH Molecular Weight (g/mol): 194.06 InChI Key: VGQSNQPVXPPLEH-UHFFFAOYSA-N Synonym: 6,7-dihydro-5h-pyrrolo 3,4-d pyrimidine dihydrochloride,5h,6h,7h-pyrrolo 3,4-d pyrimidine dihydrochloride,6,7-dihydro-5h-pyrrolo 3,4-d pyrimidine 2hcl,6,7-dihydro-5h-pyrrolo-3,4-d-pyrimidine dihydrochloride,4-d pyrimidine hydrochloride,6,7-dihydro-5h-pyrrolo 3,4-d pyrimidinedihydrochloride,6,7-dihydro-5h-pyrrolo 3,4-d pyrimidine dihydrochl,5h-pyrrolo 3,4-d pyrimidine,6,7-dihydro-, hydrochloride,5h-pyrrolo 3,4-d pyrimidine,6,7-dihydro-,dihydrochloride,5h-pyrrolo 3,4-d pyrimidine, 6,7-dihydro-, hydrochloride 1:2 PubChem CID: 44182365 IUPAC Name: 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;dihydrochloride SMILES: C1C2=CN=CN=C2CN1.Cl.Cl