Sunday, February 26, 2006

UC0066


HNMR (10/13/2006)

Name: phenylacetaldehyde

SMILES: O=CCc1ccccc1

Sigma Aldrich

HNMR

HNMR (10/13/2006)

Tuesday, February 21, 2006

UC0065

Malaria37-#20 Diketopiperazine
SMILES: Oc1ccc(cc1O)CC3C(=O)NC(CC(C)C)C(=O)N3Cc2nc(C)ccc2

UC0064



Name: 1-(6-methylpyridin-2-yl)methanamine

SMILES: Cc1cccc(CN)n1

Used as R2 in UC0063

UC0063


Malaria37-#19 Diketopiperazine
SMILES: Oc1ccc(cc1O)CC3C(=O)NCC(=O)N3Cc2nc(C)ccc2

UC0062



Name: 3-(2-aminoethoxy)propanal

SMILES: O=CCCOCCN

Used as R3 in UC0059

UC0061

Name: 4-(aminomethyl)benzene-1,2-diol
SMILES: Oc1ccc(CN)cc1O
Used ar R2 in UC0059

UC0060

Name: 2-[(tert-butoxycarbonyl)amino]-3-methylpentanoic acid
SMILES: CC(C)(C)OC(=O)NC(C(O)=O)C(C)CC
Used as R1 in UC0059

UC0059

Malaria37-#18 DIketopiperazine
SMILES: CC(CC)C2NC(=O)C(CCOCCN)N(Cc1cc(O)c(O)cc1)C2=O

UC0058

Name: 1-(5-ethyl-2-furyl)methanamine
SMILES: CCc1ccc(CN)o1
Used as R2 for UC0056

UC0057

Name: 2-[(tert-butoxycarbonyl)amino]-4-methylpentanoic acid
SMILES: CC(C)(C)OC(=O)NC(CC(C)C)C(O)=O
Used as R1 for UC0056

UC0056


Malaria37-#17 Diketopiperazine
SMILES: Oc1ccc(cc1O)CC3N(Cc2ccc(CC)o2)C(=O)C(CC(C)C)NC3=O

Saturday, February 18, 2006

UC0055


SMILES:
O=C(N(Cc1ccc(C)o1)C(Cc2ccccc2)C(=O)NCc3ccccc3)C(CCSC)NC(=O)OC(C)(C)C
MW: 579.75 g/mol
Formula: C32H41N3O5S

Intermediate in Ugi synthesis before cyclization

Saturday, February 11, 2006

UC0054


Used as R3 Aldehyde in UC0050. The acid will need a protecting group not shown.
Name: 3-oxopropanoic acid
SMILES:O=CCC(O)=O

UC0053

Used as R2 Amine in UC0050.
Name: 4-(3-aminopropyl)-2-methoxyphenol
SMILES: Oc1ccc(cc1OC)CCCN

Friday, February 10, 2006

UC0052

Used as R2 Amine in UC0049.
Name:4-(aminomethyl)-2-methoxyphenol
SMILES:Oc1ccc(cc1OC)CN

UC0051

Used as R1 Aminoacid in UC0049.
Name:2-[(tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid
SMILES:Fc1ccc(CC(NC(=O)OC(C)(C)C)C(O)=O)cc1

UC0050

Malaria37-#16 Diketopiperazine
SMILES:OC(=O)CC3C(=O)NC(CC1CCCCC1)C(=O)N3CCCc2ccc(O)c(OC)c2

UC0049


Malaria37-#15 Diketopiperazine
SMILES:Fc1ccc(cc1)CC3NC(=O)C(CCCCN)N(Cc2cc(OC)c(O)cc2)C3=O

UC0048


Used as R2 Amine group for UC0046. This would require a portective group not pictured.
Name:aminoacetic acid
SMILES: NCC(O)=O

UC0047

Used as R1 Aminoacid group for UC0046.
Name: 2-[(tert-butoxycarbonyl)amino]-3-cyclohexylpropanoic acid
SMILES: OC(=O)C(NC(=O)OC(C)(C)C)CC1CCCCC1

Thursday, February 09, 2006

UC0046


Malaria37-#14 Diketopiperazine
SMILES: O=C(O)CN3C(Cc1ccc(O)c(O)c1)C(=O)NC(CC2CCCCC2)C3=O